#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h3n s GLU 2 N 0.00 1.09 0.33 2.12 1.03 -1.26 -5.06 118.70 116.96 1h3n s GLU 2 Ca 0.00 1.09 0.09 0.00 0.03 0.00 0.00 54.97 56.19 1h3n s GLU 2 Cb 0.00 -1.77 -0.06 0.00 -0.80 0.00 0.00 34.13 31.50 1h3n s GLU 2 CO 0.00 -2.43 -0.10 0.15 -1.33 0.00 0.00 175.26 171.55 1h3n s LYS 3 N -4.78 1.77 0.08 -4.83 1.02 -1.26 -4.94 119.74 106.80 1h3n s LYS 3 Ca 0.65 -1.91 -0.36 0.00 0.02 0.00 0.00 55.97 54.37 1h3n s LYS 3 Cb -0.20 -1.63 -0.15 0.00 -0.52 0.00 0.00 37.83 35.33 1h3n s LYS 3 CO 0.58 0.14 1.50 0.98 -0.92 0.00 0.00 175.35 177.62 1h3n n TYR 4 N -0.75 1.90 -3.69 3.18 9.36 -1.26 -4.97 117.16 120.93 1h3n n TYR 4 Ca -0.05 0.45 -0.28 0.00 3.32 0.00 0.00 57.90 61.33 1h3n n TYR 4 Cb 0.63 -2.44 -0.16 0.00 -0.63 0.00 0.00 39.34 36.74 1h3n n TYR 4 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1h3n s ASN 5 N 1.09 3.35 0.52 2.98 3.84 -1.26 -5.01 114.94 120.45 1h3n s ASN 5 Ca 0.84 -1.15 0.30 0.00 0.21 0.00 0.00 52.86 53.05 1h3n s ASN 5 Cb -0.84 -0.61 1.41 0.00 -0.55 0.00 0.00 41.25 40.66 1h3n s ASN 5 CO 0.45 -0.37 2.02 1.55 -2.79 0.00 0.00 177.10 177.97 1h3n h PRO 6 N 8.24 0.00 -6.90 0.43 0.13 -1.93 -3.42 132.00 128.54 1h3n h PRO 6 Ca -0.16 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.44 1h3n h PRO 6 Cb 1.07 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.28 1h3n h PRO 6 CO 0.40 0.11 0.73 -1.01 -0.23 0.00 0.00 178.00 177.99 1h3n s HIS 7 N -3.93 2.81 0.00 1.56 3.76 -1.26 -3.20 115.29 115.02 1h3n s HIS 7 Ca -0.01 1.24 0.00 0.00 -0.15 0.00 0.00 55.06 56.13 1h3n s HIS 7 Cb 0.11 -3.87 0.00 0.00 1.11 0.00 0.00 32.58 29.93 1h3n s HIS 7 CO 0.57 -2.55 0.00 0.00 -0.85 0.00 0.00 174.74 171.91 1h3n n ALA 8 N 0.81 0.00 -0.06 -1.40 0.00 -1.26 -4.66 120.51 113.94 1h3n n ALA 8 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.45 1h3n n ALA 8 Cb 0.40 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.13 1h3n n ALA 8 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1h3n h ILE 9 N 0.00 1.19 -0.33 0.00 3.07 -1.81 -2.40 117.51 117.23 1h3n h ILE 9 Ca 0.00 -0.64 -0.06 0.00 1.55 0.00 0.00 64.86 65.70 1h3n h ILE 9 Cb 0.00 0.70 -0.01 0.00 -0.27 0.00 0.00 36.82 37.24 1h3n h ILE 9 CO 0.00 0.24 -0.04 -0.33 -1.05 0.00 0.00 178.15 176.97 1h3n h GLU 10 N 0.65 0.61 -0.78 0.16 5.08 -1.81 -1.98 114.58 116.51 1h3n h GLU 10 Ca 0.15 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1h3n h GLU 10 Cb 0.20 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 1h3n h GLU 10 CO -0.01 0.76 0.38 0.00 -1.00 0.00 0.00 179.01 179.15 1h3n h ALA 11 N 0.82 1.20 0.06 3.43 0.00 -1.83 -1.02 119.26 121.92 1h3n h ALA 11 Ca 0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1h3n h ALA 11 Cb 0.52 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1h3n h ALA 11 CO 0.03 0.61 -0.03 -0.22 0.00 0.00 0.00 179.25 179.64 1h3n h LYS 12 N 1.11 -0.08 -0.04 0.00 3.64 -1.22 -2.61 116.57 117.37 1h3n h LYS 12 Ca 0.27 0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.52 1h3n h LYS 12 Cb 0.10 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1h3n h LYS 12 CO -0.04 -0.05 -0.60 -1.49 -2.27 0.00 0.00 179.45 175.01 1h3n h TRP 13 N -0.09 0.15 -0.66 1.91 -0.00 -1.20 -2.43 115.95 113.63 1h3n h TRP 13 Ca -0.01 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.89 58.81 1h3n h TRP 13 Cb 0.07 -0.03 -0.03 0.00 -0.00 0.00 0.00 29.16 29.17 1h3n h TRP 13 CO -0.07 0.69 0.37 1.96 -0.00 0.00 0.00 178.44 181.39 1h3n h GLN 14 N 0.09 0.92 -0.37 0.49 4.20 -1.08 -0.33 115.11 119.04 1h3n h GLN 14 Ca -0.01 -0.10 -0.15 0.00 0.06 0.00 0.00 58.65 58.45 1h3n h GLN 14 Cb 1.08 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 1h3n h GLN 14 CO 0.09 0.69 -0.37 -0.09 -0.67 0.00 0.00 178.83 178.47 1h3n h ARG 15 N 0.91 0.88 -0.06 1.46 2.43 -1.39 -2.68 114.38 115.93 1h3n h ARG 15 Ca 0.23 -0.45 0.02 0.00 -0.81 0.00 0.00 59.98 58.97 1h3n h ARG 15 Cb 0.03 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.56 1h3n h ARG 15 CO -0.04 1.10 -0.06 0.35 -1.51 0.00 0.00 179.97 179.81 1h3n h PHE 16 N 0.72 -0.15 -0.76 2.20 3.57 -1.02 -0.13 116.94 121.39 1h3n h PHE 16 Ca 0.06 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 1h3n h PHE 16 Cb 0.95 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.73 1h3n h PHE 16 CO 0.06 -0.10 0.37 -1.49 -2.23 0.00 0.00 178.31 174.92 1h3n h TRP 17 N -0.08 1.07 -0.15 0.41 6.55 -1.04 -1.31 115.95 121.38 1h3n h TRP 17 Ca 0.05 -0.04 -0.04 0.00 0.95 0.00 0.00 58.89 59.81 1h3n h TRP 17 Cb 0.14 -0.33 -0.00 0.00 -0.86 0.00 0.00 29.16 28.11 1h3n h TRP 17 CO -0.16 0.77 -0.06 1.49 -1.05 0.00 0.00 178.44 179.42 1h3n h GLU 18 N 1.07 0.32 -0.93 0.49 4.57 -1.14 -2.31 114.58 116.65 1h3n h GLU 18 Ca 0.26 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1h3n h GLU 18 Cb 0.09 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.62 1h3n h GLU 18 CO -0.04 0.62 0.60 0.93 -1.18 0.00 0.00 179.01 179.95 1h3n h GLU 19 N -0.01 1.24 0.00 1.92 5.08 -0.83 -1.90 114.58 120.09 1h3n h GLU 19 Ca 0.04 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1h3n h GLU 19 Cb 0.52 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1h3n h GLU 19 CO 0.02 0.84 -0.09 0.87 -1.00 0.00 0.00 179.01 179.65 1h3n h LYS 20 N 1.27 0.00 -3.10 2.33 1.79 -1.21 -3.47 116.57 114.19 1h3n h LYS 20 Ca 0.34 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.47 1h3n h LYS 20 Cb -0.11 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.55 1h3n h LYS 20 CO -0.07 0.09 -0.48 0.41 -1.08 0.00 0.00 179.45 178.32 1h3n n GLY 21 N 0.31 -0.34 0.35 3.86 0.00 -0.71 -4.90 105.19 103.77 1h3n n GLY 21 Ca 0.01 -0.09 0.15 0.00 0.00 0.00 0.00 46.02 46.09 1h3n n GLY 21 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1h3n h PHE 22 N -0.55 0.14 -0.58 1.61 0.04 -1.84 -1.82 116.94 113.94 1h3n h PHE 22 Ca -0.43 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.35 1h3n h PHE 22 Cb 1.31 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.41 1h3n h PHE 22 CO 0.45 0.06 0.00 -1.33 -0.60 0.00 0.00 178.31 176.90 1h3n n MET 23 N -4.44 4.60 -2.57 1.51 2.81 -1.26 -4.93 117.12 112.84 1h3n n MET 23 Ca 0.07 -3.03 -0.41 0.00 -1.81 0.00 0.00 57.70 52.52 1h3n n MET 23 Cb 0.43 -2.18 -0.04 0.00 -0.71 0.00 0.00 33.22 30.72 1h3n n MET 23 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 1h3n s LYS 24 N -2.55 4.65 -0.11 0.03 2.20 -0.69 -3.87 119.74 119.40 1h3n s LYS 24 Ca 0.53 1.65 -0.06 0.00 -0.36 0.00 0.00 55.97 57.73 1h3n s LYS 24 Cb 0.39 -3.29 -0.04 0.00 -1.51 0.00 0.00 37.83 33.39 1h3n s LYS 24 CO 0.17 0.16 0.12 0.00 -0.36 0.00 0.00 175.35 175.45 1h3n s ALA 25 N -0.40 3.81 0.51 3.13 0.00 -1.26 -4.88 121.76 122.66 1h3n s ALA 25 Ca 0.47 -0.67 -0.22 0.00 0.00 0.00 0.00 51.96 51.55 1h3n s ALA 25 Cb -0.28 -1.90 -0.06 0.00 0.00 0.00 0.00 23.12 20.88 1h3n s ALA 25 CO 0.34 0.62 1.20 0.15 0.00 0.00 0.00 175.76 178.07 1h3n s LYS 26 N -1.07 3.49 0.23 0.00 1.02 -1.26 -4.93 119.74 117.22 1h3n s LYS 26 Ca 0.16 1.83 -0.08 0.00 0.02 0.00 0.00 55.97 57.89 1h3n s LYS 26 Cb -0.12 -2.25 0.22 0.00 -0.52 0.00 0.00 37.83 35.16 1h3n s LYS 26 CO 0.05 -0.79 1.90 -0.44 -0.92 0.00 0.00 175.35 175.14 1h3n h ASP 27 N 1.66 0.99 -3.25 2.83 3.45 -1.98 -3.39 116.42 116.72 1h3n h ASP 27 Ca -0.50 -0.02 -0.48 0.00 0.43 0.00 0.00 57.03 56.46 1h3n h ASP 27 Cb 1.26 -0.24 -0.39 0.00 -0.56 0.00 0.00 39.33 39.41 1h3n h ASP 27 CO 0.58 0.71 -0.77 -0.76 -1.57 0.00 0.00 179.24 177.43 1h3n s LEU 28 N -10.14 0.87 -0.30 1.55 1.43 -1.26 -4.89 118.68 105.95 1h3n s LEU 28 Ca -0.13 -0.37 -0.35 0.00 -1.03 0.00 0.00 54.13 52.26 1h3n s LEU 28 Cb 0.17 -0.54 -0.11 0.00 0.03 0.00 0.00 46.19 45.73 1h3n s LEU 28 CO 0.80 -0.22 2.12 -2.65 0.23 0.00 0.00 176.35 176.62 1h3n n PRO 29 N 5.09 1.31 -1.47 1.29 -0.02 -1.26 -4.94 135.00 135.00 1h3n n PRO 29 Ca -0.08 0.39 -0.36 0.00 -2.02 0.00 0.00 63.50 61.42 1h3n n PRO 29 Cb 0.49 -2.54 0.08 0.00 -0.02 0.00 0.00 33.50 31.51 1h3n n PRO 29 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h3n n GLY 30 N 6.02 -0.28 3.45 -1.23 0.00 -1.26 -4.73 105.19 107.16 1h3n n GLY 30 Ca 0.37 -0.26 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1h3n n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3n n GLY 31 N 1.13 0.86 0.00 -0.02 0.00 -1.26 -3.48 105.19 102.41 1h3n n GLY 31 Ca 0.14 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.48 1h3n n GLY 31 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1h3n n ARG 32 N 7.89 2.40 0.00 1.61 0.63 -1.26 -5.14 116.66 122.78 1h3n n ARG 32 Ca 0.45 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.38 1h3n n ARG 32 Cb 0.44 -0.20 0.00 0.00 0.45 0.00 0.00 32.46 33.15 1h3n n ARG 32 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1h3n n GLY 33 N 0.00 3.26 3.27 5.14 0.00 -1.23 -4.82 105.19 110.81 1h3n n GLY 33 Ca 0.00 -1.61 -0.17 0.00 0.00 0.00 0.00 46.02 44.24 1h3n n GLY 33 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h3n s LYS 34 N -4.64 1.12 -0.06 1.61 0.00 -1.26 -0.85 119.74 115.66 1h3n s LYS 34 Ca 0.00 -1.42 -0.02 0.00 0.00 0.00 0.00 55.97 54.53 1h3n s LYS 34 Cb 0.00 -0.85 0.03 0.00 0.00 0.00 0.00 37.83 37.02 1h3n s LYS 34 CO 0.00 0.14 0.08 -0.65 0.00 0.00 0.00 175.35 174.92 1h3n s GLN 35 N -3.36 -0.05 -0.44 1.78 -1.52 -0.53 -4.87 119.66 110.67 1h3n s GLN 35 Ca 0.16 0.38 -0.14 0.00 -1.95 0.00 0.00 55.36 53.81 1h3n s GLN 35 Cb -0.01 -0.55 0.05 0.00 -0.22 0.00 0.00 33.01 32.29 1h3n s GLN 35 CO 0.03 -0.35 0.32 -0.47 -0.25 0.00 0.00 175.29 174.58 1h3n s TYR 36 N 2.19 3.26 -0.33 0.91 6.14 -1.26 -1.71 117.35 126.55 1h3n s TYR 36 Ca 0.05 -0.95 -0.08 0.00 0.64 0.00 0.00 57.07 56.73 1h3n s TYR 36 Cb -0.12 -2.89 0.02 0.00 0.42 0.00 0.00 41.96 39.39 1h3n s TYR 36 CO -0.04 -0.73 0.12 0.08 0.64 0.00 0.00 175.55 175.62 1h3n s VAL 37 N 1.60 4.09 -0.04 3.14 1.01 -0.19 -1.48 120.40 128.53 1h3n s VAL 37 Ca 0.04 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.24 1h3n s VAL 37 Cb -0.22 -3.21 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 1h3n s VAL 37 CO 0.07 -0.07 -0.24 -0.22 0.00 0.00 0.00 175.10 174.64 1h3n s LEU 38 N 1.49 2.04 0.08 3.92 2.96 -0.27 -4.17 118.68 124.74 1h3n s LEU 38 Ca 0.01 -0.47 0.09 0.00 -0.22 0.00 0.00 54.13 53.54 1h3n s LEU 38 Cb -0.18 -1.29 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 1h3n s LEU 38 CO 0.04 0.26 -0.20 0.68 -1.32 0.00 0.00 176.35 175.80 1h3n s VAL 39 N -0.30 2.67 -0.08 1.68 -7.23 -1.26 -0.94 120.40 114.94 1h3n s VAL 39 Ca 0.01 -1.41 -0.29 0.00 -1.81 0.00 0.00 61.98 58.48 1h3n s VAL 39 Cb -0.12 -2.16 -0.06 0.00 0.56 0.00 0.00 36.38 34.60 1h3n s VAL 39 CO 0.02 0.22 1.91 -0.04 -0.31 0.00 0.00 175.10 176.89 1h3n s MET 40 N -1.77 3.87 0.40 4.82 1.00 -0.83 -4.93 119.30 121.86 1h3n s MET 40 Ca 0.15 2.25 -0.26 0.00 0.00 0.00 0.00 55.69 57.83 1h3n s MET 40 Cb -0.10 -4.16 -0.09 0.00 0.00 0.00 0.00 34.83 30.48 1h3n s MET 40 CO 0.07 -1.25 1.35 -0.59 0.00 0.00 0.00 175.02 174.60 1h3n s PHE 41 N 5.35 2.76 0.58 -0.03 -0.71 -1.26 -4.99 117.98 119.68 1h3n s PHE 41 Ca 0.85 1.36 -0.13 0.00 -1.04 0.00 0.00 56.93 57.97 1h3n s PHE 41 Cb -0.36 -3.76 -0.05 0.00 -1.21 0.00 0.00 43.02 37.64 1h3n s PHE 41 CO 0.36 -2.31 1.01 -1.25 -1.34 0.00 0.00 175.22 171.69 1h3n s PRO 42 N -2.20 3.70 -0.14 1.99 0.04 -1.26 -4.68 135.00 132.44 1h3n s PRO 42 Ca 0.56 0.86 -0.26 0.00 0.04 0.00 0.00 61.00 62.20 1h3n s PRO 42 Cb -0.40 -2.10 -0.02 0.00 0.04 0.00 0.00 34.50 32.02 1h3n s PRO 42 CO 0.52 -0.48 0.85 0.71 0.04 0.00 0.00 177.00 178.64 1h3n s TYR 43 N -2.93 3.46 -1.58 0.56 2.02 -1.26 -2.00 117.35 115.62 1h3n s TYR 43 Ca 0.57 1.32 -0.10 0.00 -0.37 0.00 0.00 57.07 58.49 1h3n s TYR 43 Cb -0.11 -3.02 -0.05 0.00 -0.40 0.00 0.00 41.96 38.38 1h3n s TYR 43 CO 0.44 -0.20 2.82 -0.35 -1.57 0.00 0.00 175.55 176.70 1h3n n PRO 44 N 5.01 3.69 -0.22 -1.71 -0.04 -1.26 -4.38 135.00 136.09 1h3n n PRO 44 Ca 0.05 -2.37 0.08 0.00 -0.04 0.00 0.00 63.50 61.21 1h3n n PRO 44 Cb 0.49 -2.84 0.20 0.00 -0.04 0.00 0.00 33.50 31.30 1h3n n PRO 44 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1h3n n SER 45 N 3.71 3.19 0.00 3.54 3.41 -1.26 -4.65 113.62 121.56 1h3n n SER 45 Ca 0.74 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 57.38 1h3n n SER 45 Cb 0.25 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 1h3n n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1h3n n GLY 46 N 0.88 -1.47 3.78 5.00 0.00 -1.26 -4.87 105.19 107.25 1h3n n GLY 46 Ca 0.15 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 1h3n n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1h3n s ASP 47 N -2.43 7.01 0.32 1.61 -0.00 -1.26 -4.92 116.67 117.01 1h3n s ASP 47 Ca 0.00 2.04 -0.22 0.00 -0.00 0.00 0.00 52.55 54.37 1h3n s ASP 47 Cb 0.00 -2.59 -0.10 0.00 -0.00 0.00 0.00 42.92 40.23 1h3n s ASP 47 CO 0.00 -0.31 0.86 -0.76 -0.00 0.00 0.00 175.17 174.96 1h3n s LEU 48 N -2.23 4.23 0.00 1.23 1.43 -1.26 -5.01 118.68 117.08 1h3n s LEU 48 Ca 0.53 1.63 0.02 0.00 -1.03 0.00 0.00 54.13 55.29 1h3n s LEU 48 Cb -0.23 -4.01 -0.01 0.00 0.03 0.00 0.00 46.19 41.97 1h3n s LEU 48 CO 0.30 -0.11 0.09 0.00 0.23 0.00 0.00 176.35 176.85 1h3n n HIS 49 N 0.27 0.45 0.22 0.29 1.44 -1.26 -4.19 115.22 112.45 1h3n n HIS 49 Ca 0.02 -2.41 0.15 0.00 -2.01 0.00 0.00 57.72 53.47 1h3n n HIS 49 Cb 0.51 -0.11 0.78 0.00 0.12 0.00 0.00 29.99 31.29 1h3n n HIS 49 CO 0.00 0.00 0.00 0.52 -2.81 0.00 0.00 176.34 174.05 1h3n h MET 50 N 0.00 0.00 0.09 -1.40 2.86 -1.46 -1.14 114.93 113.88 1h3n h MET 50 Ca -0.33 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1h3n h MET 50 Cb 1.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.81 1h3n h MET 50 CO 0.53 0.00 -0.04 0.78 1.06 0.00 0.00 176.91 179.24 1h3n h GLY 51 N 0.00 -0.13 1.00 8.32 0.00 -1.89 -1.47 103.07 108.91 1h3n h GLY 51 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1h3n h GLY 51 CO 0.00 -0.05 0.40 0.45 0.00 0.00 0.00 176.54 177.34 1h3n h HIS 52 N -0.58 0.81 0.00 5.60 -0.00 -1.63 -2.46 115.15 116.88 1h3n h HIS 52 Ca -0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.35 1h3n h HIS 52 Cb 0.48 -0.27 -0.00 0.00 -0.00 0.00 0.00 27.41 27.62 1h3n h HIS 52 CO 0.07 0.53 -0.06 -0.07 -0.00 0.00 0.00 177.93 178.41 1h3n h LEU 53 N 0.85 0.00 -0.09 2.43 -0.00 -1.26 -0.93 115.31 116.32 1h3n h LEU 53 Ca 0.23 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.09 1h3n h LEU 53 Cb -0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.59 1h3n h LEU 53 CO -0.05 0.06 -0.00 0.50 -0.00 0.00 0.00 178.44 178.95 1h3n h LYS 54 N 0.00 0.15 -0.42 1.13 3.64 -0.77 0.42 116.57 120.73 1h3n h LYS 54 Ca -0.00 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1h3n h LYS 54 Cb 0.19 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1h3n h LYS 54 CO 0.01 0.42 0.22 -0.97 -2.27 0.00 0.00 179.45 176.86 1h3n h ASN 55 N -0.13 0.33 1.13 4.20 -0.00 -1.33 -1.49 115.58 118.29 1h3n h ASN 55 Ca 0.02 0.02 -0.16 0.00 -0.00 0.00 0.00 56.30 56.18 1h3n h ASN 55 Cb 0.36 -0.05 -0.02 0.00 -0.00 0.00 0.00 38.32 38.61 1h3n h ASN 55 CO 0.00 0.24 -0.78 1.88 -0.00 0.00 0.00 177.43 178.77 1h3n h TYR 56 N 0.44 0.00 -0.24 0.67 0.05 -1.12 -2.99 116.97 113.78 1h3n h TYR 56 Ca 0.18 0.00 -0.15 0.00 0.05 0.00 0.00 58.73 58.81 1h3n h TYR 56 Cb 0.07 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 1h3n h TYR 56 CO -0.09 0.78 -0.45 1.15 -1.05 0.00 0.00 178.16 178.49 1h3n h THR 57 N 0.00 1.30 -0.88 -2.88 2.02 -0.01 -2.22 112.91 110.23 1h3n h THR 57 Ca -0.01 -1.65 0.02 0.00 0.77 0.00 0.00 66.41 65.55 1h3n h THR 57 Cb 1.55 1.60 -0.05 0.00 -1.74 0.00 0.00 68.15 69.52 1h3n h THR 57 CO 0.10 0.52 0.58 0.24 0.37 0.00 0.00 175.52 177.33 1h3n h MET 58 N 0.50 1.12 -0.56 6.66 2.86 -1.23 -0.55 114.93 123.74 1h3n h MET 58 Ca 0.03 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 1h3n h MET 58 Cb 0.99 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 1h3n h MET 58 CO 0.09 0.74 0.10 0.78 1.06 0.00 0.00 176.91 179.68 1h3n h GLY 59 N 1.15 0.99 1.25 8.32 0.00 -1.36 -2.80 103.07 110.63 1h3n h GLY 59 Ca 0.34 -0.66 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 1h3n h GLY 59 CO -0.10 0.61 0.09 -1.80 0.00 0.00 0.00 176.54 175.35 1h3n h ASP 60 N 0.81 0.88 -0.02 0.19 1.82 -0.78 -0.46 116.42 118.86 1h3n h ASP 60 Ca 0.17 -0.19 -0.00 0.00 -0.39 0.00 0.00 57.03 56.62 1h3n h ASP 60 Cb 0.40 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 40.18 1h3n h ASP 60 CO 0.01 0.88 0.01 0.58 -1.61 0.00 0.00 179.24 179.12 1h3n h VAL 61 N 0.88 1.05 -0.44 2.25 2.07 -1.00 -0.52 116.25 120.53 1h3n h VAL 61 Ca 0.18 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 1h3n h VAL 61 Cb 0.38 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1h3n h VAL 61 CO 0.01 0.04 0.11 0.25 0.02 0.00 0.00 177.57 178.00 1h3n h LEU 62 N -0.02 0.67 -0.22 2.57 6.46 -1.34 -1.93 115.31 121.50 1h3n h LEU 62 Ca 0.01 -0.23 0.01 0.00 -0.12 0.00 0.00 57.88 57.54 1h3n h LEU 62 Cb 0.05 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 39.79 1h3n h LEU 62 CO -0.00 0.72 0.13 0.00 -0.62 0.00 0.00 178.44 178.68 1h3n h ALA 63 N 0.97 0.28 -0.25 1.25 0.00 -0.93 0.14 119.26 120.72 1h3n h ALA 63 Ca 0.14 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1h3n h ALA 63 Cb 0.31 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1h3n h ALA 63 CO 0.00 -0.26 0.14 0.00 0.00 0.00 0.00 179.25 179.13 1h3n h ARG 64 N 0.28 0.35 0.07 0.00 3.08 -1.03 -0.80 114.38 116.33 1h3n h ARG 64 Ca 0.09 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.12 1h3n h ARG 64 Cb -0.01 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 29.94 1h3n h ARG 64 CO -0.04 0.29 -0.18 0.35 -1.07 0.00 0.00 179.97 179.33 1h3n h PHE 65 N 0.30 -0.47 -0.61 3.04 3.57 -1.12 -0.15 116.94 121.50 1h3n h PHE 65 Ca 0.09 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 1h3n h PHE 65 Cb 0.04 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 1h3n h PHE 65 CO -0.04 -0.26 0.28 0.00 -2.23 0.00 0.00 178.31 176.06 1h3n h ARG 66 N -0.33 0.87 -0.62 1.11 2.47 -0.88 -1.85 114.38 115.15 1h3n h ARG 66 Ca 0.03 -0.12 -0.08 0.00 -1.26 0.00 0.00 59.98 58.56 1h3n h ARG 66 Cb 0.37 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.50 1h3n h ARG 66 CO -0.12 0.68 0.07 -0.09 0.56 0.00 0.00 179.97 181.07 1h3n h ARG 67 N 0.87 1.05 -0.12 0.04 9.65 -0.77 -2.47 114.38 122.63 1h3n h ARG 67 Ca 0.21 -0.30 -0.05 0.00 -1.10 0.00 0.00 59.98 58.74 1h3n h ARG 67 Cb 0.11 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 1h3n h ARG 67 CO -0.03 1.00 -0.16 0.52 2.80 0.00 0.00 179.97 184.10 1h3n h MET 68 N 0.96 0.19 0.00 0.20 2.86 -0.43 -2.06 114.93 116.64 1h3n h MET 68 Ca 0.18 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1h3n h MET 68 Cb 0.48 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1h3n h MET 68 CO 0.02 0.36 0.00 1.04 1.06 0.00 0.00 176.91 179.39 1h3n n GLN 69 N -4.26 0.09 0.00 1.72 6.02 -0.75 -1.90 117.38 118.30 1h3n n GLN 69 Ca -0.01 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 1h3n n GLN 69 Cb 0.28 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.04 1h3n n GLN 69 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1h3n n GLY 70 N 0.68 0.56 3.78 1.08 0.00 -0.77 -4.88 105.19 105.64 1h3n n GLY 70 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 1h3n n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h3n s TYR 71 N -2.00 2.80 -0.28 1.61 2.02 -0.97 -4.85 117.35 115.68 1h3n s TYR 71 Ca 0.00 1.55 -0.28 0.00 -0.37 0.00 0.00 57.07 57.98 1h3n s TYR 71 Cb 0.00 -3.19 0.01 0.00 -0.40 0.00 0.00 41.96 38.38 1h3n s TYR 71 CO 0.00 -1.29 1.00 -1.21 -1.57 0.00 0.00 175.55 172.48 1h3n s GLU 72 N -3.34 4.13 -0.16 -0.62 0.41 -0.02 -4.51 118.70 114.59 1h3n s GLU 72 Ca 0.70 1.08 -0.03 0.00 -0.41 0.00 0.00 54.97 56.31 1h3n s GLU 72 Cb -0.21 -3.69 -0.03 0.00 -1.78 0.00 0.00 34.13 28.42 1h3n s GLU 72 CO 0.25 -0.74 -0.04 0.08 -0.49 0.00 0.00 175.26 174.32 1h3n s VAL 73 N 3.32 3.83 -0.31 2.63 1.01 -1.26 -1.45 120.40 128.17 1h3n s VAL 73 Ca 0.42 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 1h3n s VAL 73 Cb -0.14 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.59 1h3n s VAL 73 CO 0.11 0.49 0.07 -0.22 0.00 0.00 0.00 175.10 175.56 1h3n s LEU 74 N 0.39 3.97 -0.39 3.92 2.96 -0.69 -4.33 118.68 124.51 1h3n s LEU 74 Ca -0.04 -0.90 0.01 0.00 -0.22 0.00 0.00 54.13 52.98 1h3n s LEU 74 Cb -0.14 -1.85 0.14 0.00 0.50 0.00 0.00 46.19 44.84 1h3n s LEU 74 CO 0.03 -0.24 0.25 -2.28 -1.32 0.00 0.00 176.35 172.79 1h3n s HIS 75 N 1.44 1.14 0.30 5.38 5.65 -1.26 -1.03 115.29 126.92 1h3n s HIS 75 Ca 0.01 -1.97 0.04 0.00 0.25 0.00 0.00 55.06 53.39 1h3n s HIS 75 Cb -0.18 -1.18 -0.02 0.00 -1.18 0.00 0.00 32.58 30.02 1h3n s HIS 75 CO 0.02 -0.81 0.46 -1.25 -0.65 0.00 0.00 174.74 172.50 1h3n s PRO 76 N 0.67 3.34 0.04 2.88 0.04 -1.26 -2.45 135.00 138.25 1h3n s PRO 76 Ca 0.21 -0.70 0.02 0.00 0.04 0.00 0.00 61.00 60.56 1h3n s PRO 76 Cb -0.18 -2.79 -0.02 0.00 0.04 0.00 0.00 34.50 31.54 1h3n s PRO 76 CO -0.03 0.22 -0.06 1.41 0.04 0.00 0.00 177.00 178.57 1h3n s MET 77 N -4.15 0.47 0.20 4.56 1.75 -1.26 -4.67 119.30 116.19 1h3n s MET 77 Ca 0.39 -0.72 -0.10 0.00 -1.25 0.00 0.00 55.69 54.01 1h3n s MET 77 Cb -0.09 -0.18 0.04 0.00 2.84 0.00 0.00 34.83 37.43 1h3n s MET 77 CO 0.32 0.02 0.49 0.41 -0.65 0.00 0.00 175.02 175.61 1h3n n GLY 78 N 1.48 1.28 3.04 2.11 0.00 -1.26 -4.01 105.19 107.83 1h3n n GLY 78 Ca -0.23 -1.13 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 1h3n n GLY 78 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1h3n s TRP 79 N -4.71 2.13 -1.36 1.61 0.52 0.52 -4.26 118.94 113.39 1h3n s TRP 79 Ca 0.10 -1.13 -0.13 0.00 0.02 0.00 0.00 56.10 54.96 1h3n s TRP 79 Cb -0.03 -1.55 0.10 0.00 -1.15 0.00 0.00 33.47 30.84 1h3n s TRP 79 CO 0.06 -0.61 2.01 -3.47 0.02 0.00 0.00 176.95 174.96 1h3n n ASP 80 N 4.56 4.51 -0.20 2.95 -0.08 -0.85 -2.37 116.55 125.07 1h3n n ASP 80 Ca -0.18 -2.96 0.14 0.00 -1.51 0.00 0.00 54.79 50.28 1h3n n ASP 80 Cb 0.50 -1.59 0.59 0.00 2.34 0.00 0.00 41.12 42.97 1h3n n ASP 80 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1h3n n ALA 81 N 5.39 2.77 -2.14 -1.67 0.00 -1.26 -4.07 120.51 119.53 1h3n n ALA 81 Ca 0.46 -0.32 -0.20 0.00 0.00 0.00 0.00 53.44 53.38 1h3n n ALA 81 Cb 0.39 -1.29 -0.01 0.00 0.00 0.00 0.00 19.45 18.54 1h3n n ALA 81 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1h3n s PHE 82 N -2.32 2.64 0.00 0.00 0.08 -1.26 -4.67 117.98 112.45 1h3n s PHE 82 Ca 0.32 -0.48 0.00 0.00 0.12 0.00 0.00 56.93 56.89 1h3n s PHE 82 Cb 0.20 -2.24 0.00 0.00 -0.57 0.00 0.00 43.02 40.42 1h3n s PHE 82 CO 0.44 -0.29 0.00 0.41 -0.10 0.00 0.00 175.22 175.68 1h3n n GLY 83 N -1.70 -2.01 0.14 4.36 0.00 -0.67 -4.54 105.19 100.78 1h3n n GLY 83 Ca 0.05 -1.57 -0.07 0.00 0.00 0.00 0.00 46.02 44.44 1h3n n GLY 83 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1h3n h LEU 84 N 0.00 -0.29 -0.16 0.99 3.38 -1.96 -2.62 115.31 114.64 1h3n h LEU 84 Ca 0.00 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1h3n h LEU 84 Cb 0.00 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 1h3n h LEU 84 CO 0.00 -0.11 -0.52 -0.65 0.09 0.00 0.00 178.44 177.26 1h3n h PRO 85 N -0.01 -0.51 -0.07 1.13 0.11 -1.96 0.39 132.00 131.08 1h3n h PRO 85 Ca 0.15 0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.29 1h3n h PRO 85 Cb 0.23 0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.45 1h3n h PRO 85 CO -0.32 -0.34 0.04 0.00 -0.21 0.00 0.00 178.00 177.18 1h3n h ALA 86 N -0.33 0.09 -0.42 -0.75 0.00 -1.79 -2.68 119.26 113.39 1h3n h ALA 86 Ca 0.04 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1h3n h ALA 86 Cb 0.64 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1h3n h ALA 86 CO -0.44 -0.39 -0.27 1.49 0.00 0.00 0.00 179.25 179.65 1h3n h GLU 87 N 0.06 0.89 -0.74 0.00 4.81 -1.32 -1.83 114.58 116.46 1h3n h GLU 87 Ca 0.03 -0.40 -0.05 0.00 -0.13 0.00 0.00 59.36 58.81 1h3n h GLU 87 Cb 0.04 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1h3n h GLU 87 CO -0.00 1.05 0.27 -0.91 -0.73 0.00 0.00 179.01 178.69 1h3n h ASN 88 N 0.76 1.03 -0.20 1.04 2.35 -0.23 -0.69 115.58 119.64 1h3n h ASN 88 Ca 0.09 -0.17 -0.09 0.00 -0.55 0.00 0.00 56.30 55.58 1h3n h ASN 88 Cb 0.83 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 1h3n h ASN 88 CO 0.07 0.93 -0.24 0.00 -1.65 0.00 0.00 177.43 176.54 1h3n h ALA 89 N 1.21 0.30 -0.50 -0.83 0.00 -1.40 -2.10 119.26 115.93 1h3n h ALA 89 Ca 0.24 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1h3n h ALA 89 Cb 0.24 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1h3n h ALA 89 CO -0.02 0.27 0.26 0.00 0.00 0.00 0.00 179.25 179.76 1h3n h ALA 90 N 0.63 0.65 0.00 0.00 0.00 -1.20 -2.85 119.26 116.49 1h3n h ALA 90 Ca 0.03 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1h3n h ALA 90 Cb 0.80 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1h3n h ALA 90 CO 0.06 0.19 -0.41 -0.07 0.00 0.00 0.00 179.25 179.02 1h3n h LEU 91 N 0.67 0.00 -1.54 0.00 4.07 -1.14 0.24 115.31 117.60 1h3n h LEU 91 Ca 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.12 1h3n h LEU 91 Cb 0.09 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.81 1h3n h LEU 91 CO -0.03 0.41 0.15 0.50 -1.08 0.00 0.00 178.44 178.39 1h3n h LYS 92 N 0.00 0.45 -0.53 1.13 3.64 -1.13 -1.80 116.57 118.34 1h3n h LYS 92 Ca -0.00 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.20 1h3n h LYS 92 Cb 0.77 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.42 1h3n h LYS 92 CO 0.05 0.36 0.11 1.19 -2.27 0.00 0.00 179.45 178.90 1h3n n PHE 93 N -4.42 1.78 -3.08 1.91 3.01 -1.13 -4.94 117.46 110.59 1h3n n PHE 93 Ca 0.02 -1.11 -0.21 0.00 1.01 0.00 0.00 57.45 57.15 1h3n n PHE 93 Cb 0.12 -0.53 0.01 0.00 -0.01 0.00 0.00 39.48 39.07 1h3n n PHE 93 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1h3n n GLY 94 N -0.31 -0.50 3.70 1.37 0.00 -0.68 -4.97 105.19 103.79 1h3n n GLY 94 Ca 0.33 0.09 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 1h3n n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h3n s VAL 95 N -2.97 4.10 0.22 1.61 1.01 0.81 -4.99 120.40 120.18 1h3n s VAL 95 Ca 0.30 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 1h3n s VAL 95 Cb -0.15 -2.94 -0.09 0.00 0.00 0.00 0.00 36.38 33.20 1h3n s VAL 95 CO 0.36 0.14 1.36 -2.28 0.00 0.00 0.00 175.10 174.68 1h3n s HIS 96 N -1.30 3.18 0.23 5.22 5.65 -1.26 -3.88 115.29 123.12 1h3n s HIS 96 Ca 0.26 1.15 -0.06 0.00 0.25 0.00 0.00 55.06 56.65 1h3n s HIS 96 Cb -0.12 -3.68 0.38 0.00 -1.18 0.00 0.00 32.58 27.98 1h3n s HIS 96 CO 0.18 -2.16 1.75 -1.00 -0.65 0.00 0.00 174.74 172.86 1h3n h PRO 97 N 5.27 0.48 -0.53 2.88 0.13 -1.92 -0.79 132.00 137.52 1h3n h PRO 97 Ca -0.45 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 1h3n h PRO 97 Cb 1.22 -0.11 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1h3n h PRO 97 CO 0.78 0.31 0.17 -0.22 -0.23 0.00 0.00 178.00 178.81 1h3n h LYS 98 N 0.49 0.83 0.03 0.86 3.64 -1.98 -0.78 116.57 119.66 1h3n h LYS 98 Ca 0.37 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1h3n h LYS 98 Cb 0.48 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1h3n h LYS 98 CO -0.34 0.76 -0.01 -0.44 -2.27 0.00 0.00 179.45 177.15 1h3n h ASP 99 N 0.74 -0.03 -0.64 4.20 3.32 -1.87 -2.89 116.42 119.24 1h3n h ASP 99 Ca 0.17 -0.32 0.07 0.00 0.02 0.00 0.00 57.03 56.97 1h3n h ASP 99 Cb 0.27 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.77 1h3n h ASP 99 CO -0.01 0.31 0.33 -0.25 -1.72 0.00 0.00 179.24 177.90 1h3n h TRP 100 N -0.37 0.60 0.34 4.55 2.91 -1.12 -2.09 115.95 120.76 1h3n h TRP 100 Ca -0.00 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.03 1h3n h TRP 100 Cb 0.35 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 28.83 1h3n h TRP 100 CO 0.04 0.25 -0.16 1.15 -1.03 0.00 0.00 178.44 178.69 1h3n h THR 101 N 0.60 0.67 -0.05 2.65 2.02 -1.13 -1.51 112.91 116.16 1h3n h THR 101 Ca 0.30 -0.05 -0.07 0.00 0.77 0.00 0.00 66.41 67.37 1h3n h THR 101 Cb 0.25 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1h3n h THR 101 CO -0.22 0.01 -0.28 1.88 0.37 0.00 0.00 175.52 177.29 1h3n h TYR 102 N -0.48 0.09 -0.19 3.16 0.05 -1.42 0.72 116.97 118.91 1h3n h TYR 102 Ca -0.05 -0.02 -0.16 0.00 0.05 0.00 0.00 58.73 58.56 1h3n h TYR 102 Cb 0.37 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 1h3n h TYR 102 CO -0.05 0.36 -0.54 0.00 -1.05 0.00 0.00 178.16 176.89 1h3n h ALA 103 N 1.64 0.71 -0.22 3.88 0.00 -1.28 -1.82 119.26 122.17 1h3n h ALA 103 Ca 0.01 -0.51 -0.17 0.00 0.00 0.00 0.00 54.91 54.25 1h3n h ALA 103 Cb 0.54 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1h3n h ALA 103 CO 0.04 0.69 -0.54 -0.97 0.00 0.00 0.00 179.25 178.46 1h3n h ASN 104 N 0.43 0.73 -0.55 0.00 -1.24 -0.63 -2.73 115.58 111.59 1h3n h ASN 104 Ca 0.01 -0.39 -0.02 0.00 0.71 0.00 0.00 56.30 56.61 1h3n h ASN 104 Cb 1.08 -0.21 -0.03 0.00 0.73 0.00 0.00 38.32 39.89 1h3n h ASN 104 CO 0.10 1.13 0.26 0.40 -1.29 0.00 0.00 177.43 178.03 1h3n h ILE 105 N 0.51 1.20 -0.66 2.57 2.04 -0.72 -0.87 117.51 121.58 1h3n h ILE 105 Ca 0.01 -0.58 0.03 0.00 1.00 0.00 0.00 64.86 65.32 1h3n h ILE 105 Cb 1.10 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 1h3n h ILE 105 CO 0.11 0.23 0.41 -0.09 0.00 0.00 0.00 178.15 178.81 1h3n h ARG 106 N 0.75 0.77 -0.42 2.37 2.43 -1.25 -1.43 114.38 117.60 1h3n h ARG 106 Ca 0.19 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.22 1h3n h ARG 106 Cb 0.13 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 1h3n h ARG 106 CO -0.02 0.51 -0.11 1.96 -1.51 0.00 0.00 179.97 180.80 1h3n h GLN 107 N 0.79 0.81 -0.77 0.20 4.20 -1.20 -2.86 115.11 116.28 1h3n h GLN 107 Ca 0.27 -0.31 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1h3n h GLN 107 Cb 0.04 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.74 1h3n h GLN 107 CO -0.12 0.94 0.41 0.00 -0.67 0.00 0.00 178.83 179.39 1h3n h ALA 108 N 0.85 0.99 -0.77 3.87 0.00 -0.76 -1.85 119.26 121.59 1h3n h ALA 108 Ca 0.10 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1h3n h ALA 108 Cb 0.64 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1h3n h ALA 108 CO 0.04 0.52 0.49 0.87 0.00 0.00 0.00 179.25 181.17 1h3n h LYS 109 N 1.08 1.03 -0.37 0.00 1.57 -1.23 -1.37 116.57 117.28 1h3n h LYS 109 Ca 0.27 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1h3n h LYS 109 Cb 0.05 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1h3n h LYS 109 CO -0.04 0.70 0.13 1.49 -0.57 0.00 0.00 179.45 181.16 1h3n h GLU 110 N 1.05 0.57 -1.00 3.15 4.81 -1.22 -0.16 114.58 121.78 1h3n h GLU 110 Ca 0.28 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1h3n h GLU 110 Cb -0.09 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.15 1h3n h GLU 110 CO -0.06 0.57 0.66 0.77 -0.73 0.00 0.00 179.01 180.22 1h3n h SER 111 N 0.45 1.11 -0.15 1.04 0.02 -0.97 0.13 113.55 115.18 1h3n h SER 111 Ca 0.12 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 1h3n h SER 111 Cb 0.23 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 1h3n h SER 111 CO -0.01 0.77 -0.22 -0.07 -1.14 0.00 0.00 176.83 176.16 1h3n h LEU 112 N 1.29 0.44 -1.00 5.07 3.38 -1.04 -3.08 115.31 120.38 1h3n h LEU 112 Ca 0.39 -0.52 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 1h3n h LEU 112 Cb -0.04 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1h3n h LEU 112 CO -0.11 0.88 0.09 -0.09 0.09 0.00 0.00 178.44 179.30 1h3n h ARG 113 N 0.02 0.82 0.00 1.13 2.43 -0.66 -2.49 114.38 115.63 1h3n h ARG 113 Ca 0.01 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1h3n h ARG 113 Cb 0.79 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1h3n h ARG 113 CO 0.05 0.76 0.00 -0.07 -1.51 0.00 0.00 179.97 179.20 1h3n h LEU 114 N 0.78 0.00 -1.90 3.80 3.38 -0.77 -2.19 115.31 118.40 1h3n h LEU 114 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1h3n h LEU 114 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1h3n h LEU 114 CO 0.00 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.76 1h3n n MET 115 N -2.38 2.26 -1.06 1.13 2.81 -0.97 -4.59 117.12 114.31 1h3n n MET 115 Ca 0.02 -1.88 -0.02 0.00 -1.81 0.00 0.00 57.70 54.00 1h3n n MET 115 Cb 0.25 -1.48 -0.01 0.00 -0.71 0.00 0.00 33.22 31.27 1h3n n MET 115 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1h3n n GLY 116 N 1.38 0.56 3.73 3.03 0.00 -0.82 -4.86 105.19 108.21 1h3n n GLY 116 Ca 0.18 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 1h3n n GLY 116 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h3n s ILE 117 N -2.05 4.60 -0.15 -0.61 1.01 -1.00 -5.05 121.20 117.96 1h3n s ILE 117 Ca 0.00 1.95 0.02 0.00 0.00 0.00 0.00 60.65 62.62 1h3n s ILE 117 Cb 0.00 -4.27 0.01 0.00 0.01 0.00 0.00 42.46 38.21 1h3n s ILE 117 CO 0.00 0.31 -0.20 -0.76 0.00 0.00 0.00 174.94 174.30 1h3n s LEU 118 N 0.08 2.23 0.32 2.97 1.43 -1.26 -4.49 118.68 119.96 1h3n s LEU 118 Ca 0.45 -0.56 0.07 0.00 -1.03 0.00 0.00 54.13 53.05 1h3n s LEU 118 Cb -0.22 -1.49 -0.06 0.00 0.03 0.00 0.00 46.19 44.45 1h3n s LEU 118 CO 0.28 0.08 -0.03 -0.31 0.23 0.00 0.00 176.35 176.59 1h3n s TYR 119 N 0.84 2.14 -0.99 0.29 2.02 -1.26 -4.96 117.35 115.42 1h3n s TYR 119 Ca -0.06 -0.71 -0.16 0.00 -0.37 0.00 0.00 57.07 55.77 1h3n s TYR 119 Cb -0.15 -1.31 0.16 0.00 -0.40 0.00 0.00 41.96 40.26 1h3n s TYR 119 CO -0.02 0.31 1.15 0.34 -1.57 0.00 0.00 175.55 175.76 1h3n s ASP 120 N -3.53 6.79 0.06 2.29 -1.08 -1.02 -4.81 116.67 115.37 1h3n s ASP 120 Ca 0.32 -2.45 0.07 0.00 -0.52 0.00 0.00 52.55 49.97 1h3n s ASP 120 Cb 0.06 -2.36 0.33 0.00 -1.46 0.00 0.00 42.92 39.48 1h3n s ASP 120 CO 0.14 -0.87 1.22 0.79 0.52 0.00 0.00 175.17 176.97 1h3n n TRP 121 N 5.76 0.14 0.50 -5.34 7.02 -1.26 -1.57 117.44 122.68 1h3n n TRP 121 Ca 0.26 0.07 0.11 0.00 -1.02 0.00 0.00 57.50 56.91 1h3n n TRP 121 Cb 0.47 -0.61 0.44 0.00 -2.42 0.00 0.00 31.31 29.19 1h3n n TRP 121 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 1h3n n ASP 122 N -1.64 0.46 -0.97 -0.99 8.00 -1.26 -2.42 116.55 117.74 1h3n n ASP 122 Ca 0.01 0.60 0.08 0.00 0.71 0.00 0.00 54.79 56.18 1h3n n ASP 122 Cb 0.05 -0.70 0.23 0.00 -0.02 0.00 0.00 41.12 40.68 1h3n n ASP 122 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1h3n n ARG 123 N -1.99 2.95 -1.69 -1.24 1.74 -0.61 -4.96 116.66 110.86 1h3n n ARG 123 Ca 0.03 -2.39 -0.43 0.00 -0.77 0.00 0.00 57.85 54.29 1h3n n ARG 123 Cb 0.25 -1.48 -0.01 0.00 -1.02 0.00 0.00 32.46 30.20 1h3n n ARG 123 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1h3n n GLU 124 N 0.81 2.08 -4.38 5.56 2.13 -1.01 -4.76 120.64 121.06 1h3n n GLU 124 Ca 0.18 0.73 -0.20 0.00 0.66 0.00 0.00 57.16 58.53 1h3n n GLU 124 Cb 0.58 -2.30 -0.13 0.00 0.27 0.00 0.00 31.44 29.85 1h3n n GLU 124 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 1h3n s VAL 125 N -1.07 1.11 -0.27 6.31 -7.23 -1.26 -5.03 120.40 112.96 1h3n s VAL 125 Ca 0.56 -0.95 -0.01 0.00 -1.81 0.00 0.00 61.98 59.77 1h3n s VAL 125 Cb -0.58 -0.99 0.08 0.00 0.56 0.00 0.00 36.38 35.45 1h3n s VAL 125 CO 0.62 0.04 0.05 -0.89 -0.31 0.00 0.00 175.10 174.61 1h3n s THR 126 N -0.79 1.01 0.65 5.32 2.01 -1.26 -0.35 115.64 122.22 1h3n s THR 126 Ca 0.02 -1.24 0.37 0.00 0.31 0.00 0.00 61.69 61.14 1h3n s THR 126 Cb -0.08 -1.62 0.38 0.00 0.01 0.00 0.00 72.50 71.20 1h3n s THR 126 CO 0.01 -0.46 2.18 0.71 -0.69 0.00 0.00 174.62 176.37 1h3n h THR 127 N 6.54 0.11 -0.01 -0.82 1.35 -1.85 -2.01 112.91 116.22 1h3n h THR 127 Ca -0.14 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 1h3n h THR 127 Cb 1.05 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1h3n h THR 127 CO 0.43 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.70 1h3n s GLU 129 N -1.99 3.93 0.38 0.00 2.02 -0.76 -4.95 118.70 117.32 1h3n s GLU 129 Ca 0.43 0.41 0.09 0.00 0.02 0.00 0.00 54.97 55.92 1h3n s GLU 129 Cb 0.21 -2.98 0.84 0.00 0.10 0.00 0.00 34.13 32.29 1h3n s GLU 129 CO 0.34 0.52 1.93 -1.35 0.02 0.00 0.00 175.26 176.72 1h3n h PRO 130 N 3.72 0.64 0.00 0.39 0.11 -1.88 0.69 132.00 135.66 1h3n h PRO 130 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1h3n h PRO 130 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1h3n h PRO 130 CO 0.66 0.42 0.06 0.93 -0.21 0.00 0.00 178.00 179.86 1h3n h GLU 131 N 0.66 0.00 0.00 1.05 3.07 -1.93 -2.08 114.58 115.34 1h3n h GLU 131 Ca 0.36 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 59.07 1h3n h GLU 131 Cb 0.52 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.41 1h3n h GLU 131 CO -0.14 0.00 -1.36 0.98 -1.40 0.00 0.00 179.01 177.10 1h3n n TYR 132 N -2.86 0.00 0.27 4.33 4.19 0.15 -4.65 117.16 118.58 1h3n n TYR 132 Ca -0.02 0.00 0.09 0.00 3.31 0.00 0.00 57.90 61.28 1h3n n TYR 132 Cb 0.12 -0.53 0.42 0.00 0.49 0.00 0.00 39.34 39.85 1h3n n TYR 132 CO 0.00 0.00 0.00 2.48 0.91 0.00 0.00 176.86 180.25 1h3n n TYR 133 N -4.07 0.54 0.22 2.98 4.11 -0.67 -1.17 117.16 119.10 1h3n n TYR 133 Ca -0.24 0.25 0.07 0.00 -0.00 0.00 0.00 57.90 57.98 1h3n n TYR 133 Cb 0.56 -0.90 0.53 0.00 -0.00 0.00 0.00 39.34 39.53 1h3n n TYR 133 CO 0.00 0.00 0.00 0.07 -0.00 0.00 0.00 176.86 176.93 1h3n h ARG 134 N 0.00 0.00 0.00 -3.48 0.11 -1.63 -0.74 114.38 108.64 1h3n h ARG 134 Ca 0.00 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 60.03 1h3n h ARG 134 Cb 0.16 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.24 1h3n h ARG 134 CO 0.00 0.21 -0.34 -1.49 0.10 0.00 0.00 179.97 178.45 1h3n h TRP 135 N 0.00 0.00 -0.31 4.08 -0.00 -1.41 -1.83 115.95 116.48 1h3n h TRP 135 Ca -0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.89 58.83 1h3n h TRP 135 Cb 0.42 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.57 1h3n h TRP 135 CO 0.00 0.25 -0.04 -0.91 -0.00 0.00 0.00 178.44 177.74 1h3n h ASN 136 N 0.00 0.57 -0.67 -3.49 2.35 -1.19 -1.37 115.58 111.78 1h3n h ASN 136 Ca -0.01 -0.34 -0.04 0.00 -0.55 0.00 0.00 56.30 55.36 1h3n h ASN 136 Cb 1.20 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 39.38 1h3n h ASN 136 CO 0.03 0.78 0.27 1.56 -1.65 0.00 0.00 177.43 178.41 1h3n h GLN 137 N 0.36 1.03 -0.12 0.81 4.20 -1.24 0.26 115.11 120.42 1h3n h GLN 137 Ca 0.08 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 1h3n h GLN 137 Cb 0.50 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1h3n h GLN 137 CO 0.02 0.85 0.06 2.35 -0.67 0.00 0.00 178.83 181.45 1h3n h TRP 138 N 1.01 0.17 -0.60 2.96 7.01 -1.12 -1.07 115.95 124.31 1h3n h TRP 138 Ca 0.23 -0.01 -0.07 0.00 2.11 0.00 0.00 58.89 61.16 1h3n h TRP 138 Cb 0.21 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 27.19 1h3n h TRP 138 CO 0.02 0.21 0.10 0.82 -2.79 0.00 0.00 178.44 176.79 1h3n h ILE 139 N 0.09 1.25 -0.64 2.65 2.04 -0.99 -2.35 117.51 119.57 1h3n h ILE 139 Ca 0.04 -0.96 0.04 0.00 1.00 0.00 0.00 64.86 64.98 1h3n h ILE 139 Cb 0.09 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1h3n h ILE 139 CO -0.01 0.36 0.38 0.15 0.00 0.00 0.00 178.15 179.03 1h3n h PHE 140 N 0.91 0.71 -0.68 1.37 3.04 -0.54 -1.63 116.94 120.12 1h3n h PHE 140 Ca 0.19 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.12 1h3n h PHE 140 Cb 0.39 -0.23 -0.03 0.00 2.56 0.00 0.00 35.95 38.64 1h3n h PHE 140 CO 0.03 0.39 0.28 -0.07 -2.02 0.00 0.00 178.31 176.91 1h3n h LEU 141 N 0.74 0.91 -0.68 0.59 3.38 -0.84 -1.51 115.31 117.90 1h3n h LEU 141 Ca 0.26 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 1h3n h LEU 141 Cb 0.06 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1h3n h LEU 141 CO -0.12 0.80 0.17 0.11 0.09 0.00 0.00 178.44 179.49 1h3n h LYS 142 N 0.98 1.08 -0.33 1.13 1.79 -0.86 -1.19 116.57 119.17 1h3n h LYS 142 Ca 0.23 -0.26 -0.09 0.00 -2.18 0.00 0.00 60.65 58.35 1h3n h LYS 142 Cb 0.17 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 1h3n h LYS 142 CO -0.02 0.96 -0.17 0.52 -1.08 0.00 0.00 179.45 179.66 1h3n h MET 143 N 1.01 0.59 -0.27 3.15 2.86 -0.98 -1.61 114.93 119.69 1h3n h MET 143 Ca 0.21 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1h3n h MET 143 Cb 0.37 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 1h3n h MET 143 CO 0.00 0.74 0.11 2.35 1.06 0.00 0.00 176.91 181.17 1h3n h TRP 144 N 0.54 0.40 0.00 -0.22 2.91 -0.88 0.59 115.95 119.29 1h3n h TRP 144 Ca 0.09 -0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.04 1h3n h TRP 144 Cb 0.60 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 29.13 1h3n h TRP 144 CO 0.02 0.41 -0.19 0.93 -1.03 0.00 0.00 178.44 178.58 1h3n h GLU 145 N 0.28 0.00 -0.65 2.65 5.08 -1.00 -2.69 114.58 118.26 1h3n h GLU 145 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1h3n h GLU 145 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1h3n h GLU 145 CO -0.01 0.19 0.00 1.63 -1.00 0.00 0.00 179.01 179.82 1h3n n LYS 146 N -3.90 3.93 -2.29 2.33 4.76 -0.63 -4.94 118.16 117.42 1h3n n LYS 146 Ca -0.02 -2.86 -0.15 0.00 -2.87 0.00 0.00 58.31 52.41 1h3n n LYS 146 Cb 0.28 -1.97 -0.01 0.00 -1.84 0.00 0.00 35.03 31.50 1h3n n LYS 146 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1h3n n GLY 147 N 1.02 -0.24 0.07 0.72 0.00 -0.95 -4.90 105.19 100.91 1h3n n GLY 147 Ca 0.26 -0.26 0.05 0.00 0.00 0.00 0.00 46.02 46.06 1h3n n GLY 147 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h3n n LEU 148 N -2.13 0.71 -4.09 0.99 4.77 0.20 -4.85 117.00 112.61 1h3n n LEU 148 Ca -0.17 -0.58 -0.30 0.00 -0.03 0.00 0.00 56.01 54.93 1h3n n LEU 148 Cb 0.63 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.56 1h3n n LEU 148 CO 0.21 0.16 -0.51 0.00 -1.33 0.00 0.00 177.39 175.91 1h3n s ALA 149 N -1.82 1.94 0.12 -1.18 0.00 -1.02 0.66 121.76 120.47 1h3n s ALA 149 Ca 0.05 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 51.03 1h3n s ALA 149 Cb 0.08 -0.94 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 1h3n s ALA 149 CO 0.38 -0.13 0.21 1.52 0.00 0.00 0.00 175.76 177.74 1h3n s TYR 150 N 1.03 0.35 -0.13 0.00 -0.85 -0.64 -4.62 117.35 112.49 1h3n s TYR 150 Ca -0.04 -0.76 -0.02 0.00 -0.52 0.00 0.00 57.07 55.73 1h3n s TYR 150 Cb -0.15 -0.12 -0.03 0.00 0.38 0.00 0.00 41.96 42.05 1h3n s TYR 150 CO -0.04 -0.61 -0.06 1.03 -1.52 0.00 0.00 175.55 174.36 1h3n s ARG 151 N -3.93 3.41 0.01 -3.49 0.52 -1.26 -0.46 118.95 113.75 1h3n s ARG 151 Ca 0.12 -0.54 -0.16 0.00 -0.52 0.00 0.00 55.73 54.64 1h3n s ARG 151 Cb 0.05 -2.80 0.03 0.00 0.52 0.00 0.00 34.95 32.74 1h3n s ARG 151 CO -0.05 0.35 0.33 0.00 0.02 0.00 0.00 175.30 175.96 1h3n s ALA 152 N 0.05 -0.82 0.05 2.13 0.00 -0.50 -4.97 121.76 117.71 1h3n s ALA 152 Ca -0.01 0.27 -0.01 0.00 0.00 0.00 0.00 51.96 52.21 1h3n s ALA 152 Cb -0.14 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1h3n s ALA 152 CO 0.03 -0.33 0.21 0.21 0.00 0.00 0.00 175.76 175.88 1h3n s LYS 153 N -1.82 3.45 0.00 0.00 2.20 -1.26 -1.08 119.74 121.24 1h3n s LYS 153 Ca -0.10 -0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.12 1h3n s LYS 153 Cb -0.03 -3.04 0.00 0.00 -1.51 0.00 0.00 37.83 33.25 1h3n s LYS 153 CO 0.02 0.62 0.00 0.41 -0.36 0.00 0.00 175.35 176.03 1h3n n GLY 154 N 0.44 -0.87 3.75 5.54 0.00 -0.93 -4.97 105.19 108.14 1h3n n GLY 154 Ca -0.06 -1.28 -0.40 0.00 0.00 0.00 0.00 46.02 44.27 1h3n n GLY 154 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h3n s LEU 155 N 0.00 4.56 0.14 0.99 1.43 -1.26 -1.92 118.68 122.62 1h3n s LEU 155 Ca 0.00 2.11 0.02 0.00 -1.03 0.00 0.00 54.13 55.23 1h3n s LEU 155 Cb 0.00 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 1h3n s LEU 155 CO 0.00 -0.08 -0.03 0.68 0.23 0.00 0.00 176.35 177.15 1h3n s VAL 156 N -0.87 0.69 0.25 -1.59 -7.23 0.74 -4.95 120.40 107.45 1h3n s VAL 156 Ca 0.45 -1.96 -0.28 0.00 -1.81 0.00 0.00 61.98 58.38 1h3n s VAL 156 Cb -0.29 -1.91 -0.09 0.00 0.56 0.00 0.00 36.38 34.65 1h3n s VAL 156 CO 0.36 -0.67 0.91 0.20 -0.31 0.00 0.00 175.10 175.59 1h3n s ASN 157 N -3.11 7.51 -0.02 4.85 -0.87 -1.26 -2.17 114.94 119.86 1h3n s ASN 157 Ca 0.18 1.85 -0.02 0.00 -1.57 0.00 0.00 52.86 53.31 1h3n s ASN 157 Cb 0.06 -2.58 0.01 0.00 -0.02 0.00 0.00 41.25 38.72 1h3n s ASN 157 CO -0.00 0.10 0.06 0.86 -2.57 0.00 0.00 177.10 175.55 1h3n s TRP 158 N -1.30 -0.06 -0.25 2.20 -0.11 0.18 -0.96 118.94 118.64 1h3n s TRP 158 Ca 0.43 0.17 -0.05 0.00 1.22 0.00 0.00 56.10 57.86 1h3n s TRP 158 Cb -0.23 -0.02 -0.01 0.00 -1.50 0.00 0.00 33.47 31.70 1h3n s TRP 158 CO 0.29 -0.05 0.02 0.00 -4.62 0.00 0.00 176.95 172.58 1h3n h PRO 160 N 8.17 0.00 0.03 0.00 0.13 -1.89 0.27 132.00 138.72 1h3n h PRO 160 Ca -0.38 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.66 1h3n h PRO 160 Cb 1.16 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.29 1h3n h PRO 160 CO 0.59 0.09 -0.39 0.87 -0.23 0.00 0.00 178.00 178.94 1h3n h LYS 161 N 0.00 0.20 0.00 0.86 1.57 -1.96 -3.27 116.57 113.98 1h3n h LYS 161 Ca -0.00 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1h3n h LYS 161 Cb 0.31 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1h3n h LYS 161 CO 0.01 1.04 -0.02 0.00 -0.57 0.00 0.00 179.45 179.91 1h3n n GLN 163 N -3.11 -7.09 -3.54 0.00 1.13 0.07 -4.88 117.38 99.97 1h3n n GLN 163 Ca 0.02 0.81 -0.10 0.00 -1.94 0.00 0.00 57.00 55.80 1h3n n GLN 163 Cb 0.45 -5.82 -0.02 0.00 0.11 0.00 0.00 30.24 24.96 1h3n n GLN 163 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1h3n s THR 164 N -3.36 0.00 0.64 5.09 -1.32 -1.22 -4.43 115.64 111.05 1h3n s THR 164 Ca 0.30 -0.23 -0.13 0.00 -1.21 0.00 0.00 61.69 60.42 1h3n s THR 164 Cb -0.13 -1.25 -0.02 0.00 -1.51 0.00 0.00 72.50 69.59 1h3n s THR 164 CO 0.74 0.00 1.05 0.68 -2.21 0.00 0.00 174.62 174.88 1h3n s VAL 165 N -3.65 4.00 0.07 5.08 -7.23 -1.26 -2.56 120.40 114.85 1h3n s VAL 165 Ca 0.04 0.78 0.05 0.00 -1.81 0.00 0.00 61.98 61.04 1h3n s VAL 165 Cb -0.02 -3.43 -0.03 0.00 0.56 0.00 0.00 36.38 33.46 1h3n s VAL 165 CO -0.08 -0.72 -0.14 -0.76 -0.31 0.00 0.00 175.10 173.09 1h3n s LEU 166 N -5.04 2.27 0.57 1.32 1.43 -0.14 -4.88 118.68 114.22 1h3n s LEU 166 Ca 0.60 -0.61 -0.15 0.00 -1.03 0.00 0.00 54.13 52.94 1h3n s LEU 166 Cb -0.14 -0.51 -0.05 0.00 0.03 0.00 0.00 46.19 45.52 1h3n s LEU 166 CO 0.46 -0.08 1.03 0.00 0.23 0.00 0.00 176.35 177.99 1h3n s ALA 167 N -1.26 2.90 0.29 4.21 0.00 -1.26 -4.13 121.76 122.50 1h3n s ALA 167 Ca -0.02 0.23 0.03 0.00 0.00 0.00 0.00 51.96 52.20 1h3n s ALA 167 Cb -0.10 -3.17 0.68 0.00 0.00 0.00 0.00 23.12 20.53 1h3n s ALA 167 CO 0.02 -0.61 1.74 -0.91 0.00 0.00 0.00 175.76 176.00 1h3n h ASN 168 N 0.44 0.53 0.33 0.00 -0.26 -1.90 0.91 115.58 115.63 1h3n h ASN 168 Ca -0.46 0.12 -0.03 0.00 -0.56 0.00 0.00 56.30 55.37 1h3n h ASN 168 Cb 1.20 0.04 -0.00 0.00 -1.06 0.00 0.00 38.32 38.50 1h3n h ASN 168 CO 0.59 0.15 -0.13 -0.33 -1.06 0.00 0.00 177.43 176.65 1h3n h GLU 169 N 0.58 0.00 -0.15 0.81 3.07 -1.92 -2.40 114.58 114.56 1h3n h GLU 169 Ca 0.54 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.40 1h3n h GLU 169 Cb 0.90 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.81 1h3n h GLU 169 CO -0.43 0.13 0.00 1.04 -1.40 0.00 0.00 179.01 178.35 1h3n n GLN 170 N -3.75 1.39 -3.84 2.33 6.02 0.31 -4.67 117.38 115.16 1h3n n GLN 170 Ca -0.02 -0.60 -0.36 0.00 -0.01 0.00 0.00 57.00 56.01 1h3n n GLN 170 Cb 0.24 -1.17 -0.13 0.00 1.02 0.00 0.00 30.24 30.20 1h3n n GLN 170 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1h3n s VAL 171 N -1.79 3.40 -0.28 5.09 1.01 -0.91 -1.61 120.40 125.30 1h3n s VAL 171 Ca 0.15 -1.08 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 1h3n s VAL 171 Cb 0.08 -2.85 0.02 0.00 0.00 0.00 0.00 36.38 33.62 1h3n s VAL 171 CO 0.11 -0.02 0.04 -0.69 0.00 0.00 0.00 175.10 174.54 1h3n s VAL 172 N 1.36 3.63 -1.77 2.92 1.01 0.90 -4.55 120.40 123.91 1h3n s VAL 172 Ca -0.01 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.14 1h3n s VAL 172 Cb -0.18 -2.88 0.00 0.00 0.00 0.00 0.00 36.38 33.31 1h3n s VAL 172 CO 0.00 0.09 0.01 -0.62 0.00 0.00 0.00 175.10 174.58 1h3n n GLU 173 N 4.80 -1.75 -0.99 2.72 1.02 -1.26 -0.83 120.64 124.36 1h3n n GLU 173 Ca -0.15 1.00 0.00 0.00 -0.02 0.00 0.00 57.16 58.00 1h3n n GLU 173 Cb 0.47 -5.68 0.00 0.00 -0.02 0.00 0.00 31.44 26.22 1h3n n GLU 173 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1h3n n GLY 174 N -1.02 0.72 3.56 0.62 0.00 -1.26 -5.02 105.19 102.79 1h3n n GLY 174 Ca -0.24 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 1h3n n GLY 174 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h3n s ARG 175 N -0.01 2.00 0.24 1.61 1.81 -0.01 -0.65 118.95 123.93 1h3n s ARG 175 Ca 0.00 -1.57 -0.30 0.00 -1.72 0.00 0.00 55.73 52.14 1h3n s ARG 175 Cb 0.00 -1.98 -0.09 0.00 -0.45 0.00 0.00 34.95 32.43 1h3n s ARG 175 CO 0.00 0.35 1.31 0.00 -0.68 0.00 0.00 175.30 176.29 1h3n h TRP 177 N 4.86 0.00 0.00 0.00 5.08 -1.65 -2.43 115.95 121.81 1h3n h TRP 177 Ca -0.46 0.00 -0.36 0.00 1.08 0.00 0.00 58.89 59.15 1h3n h TRP 177 Cb 1.22 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 27.31 1h3n h TRP 177 CO 0.60 0.00 -2.37 0.54 -1.28 0.00 0.00 178.44 175.94 1h3n n ARG 178 N -2.96 0.73 -3.64 0.12 5.12 -1.26 -4.72 116.66 110.06 1h3n n ARG 178 Ca -0.02 0.07 -0.31 0.00 -1.93 0.00 0.00 57.85 55.66 1h3n n ARG 178 Cb 0.09 -1.49 -0.09 0.00 -1.16 0.00 0.00 32.46 29.81 1h3n n ARG 178 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1h3n n HIS 179 N -2.98 3.57 0.16 -1.55 8.25 -0.94 -4.93 115.22 116.81 1h3n n HIS 179 Ca -0.38 -4.11 0.08 0.00 -0.26 0.00 0.00 57.72 53.06 1h3n n HIS 179 Cb 1.04 -0.79 0.45 0.00 1.12 0.00 0.00 29.99 31.81 1h3n n HIS 179 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1h3n n GLU 180 N 1.69 0.11 0.00 -0.41 2.13 -1.08 -0.59 120.64 122.49 1h3n n GLU 180 Ca 0.24 0.59 0.11 0.00 0.66 0.00 0.00 57.16 58.76 1h3n n GLU 180 Cb 0.37 -2.02 0.03 0.00 0.27 0.00 0.00 31.44 30.09 1h3n n GLU 180 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1h3n n ASP 181 N -2.12 1.62 -4.42 4.31 5.75 -1.26 -4.81 116.55 115.62 1h3n n ASP 181 Ca -0.01 -1.28 -0.37 0.00 -0.01 0.00 0.00 54.79 53.12 1h3n n ASP 181 Cb 0.19 0.54 -0.12 0.00 -1.03 0.00 0.00 41.12 40.70 1h3n n ASP 181 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1h3n s THR 182 N -2.61 4.33 0.24 2.12 2.01 0.24 -5.07 115.64 116.91 1h3n s THR 182 Ca 0.17 -0.37 -0.30 0.00 0.31 0.00 0.00 61.69 61.50 1h3n s THR 182 Cb 0.18 -3.13 -0.09 0.00 0.01 0.00 0.00 72.50 69.46 1h3n s THR 182 CO 0.64 0.19 1.28 -2.84 -0.69 0.00 0.00 174.62 173.20 1h3n s PRO 183 N 1.59 4.41 0.35 4.92 0.02 -1.26 -2.55 135.00 142.48 1h3n s PRO 183 Ca 0.05 2.06 -0.27 0.00 0.02 0.00 0.00 61.00 62.87 1h3n s PRO 183 Cb -0.16 -3.16 -0.09 0.00 0.02 0.00 0.00 34.50 31.11 1h3n s PRO 183 CO 0.04 -0.17 1.11 0.08 -0.33 0.00 0.00 177.00 177.72 1h3n s VAL 184 N -0.38 3.45 0.38 3.83 1.01 0.18 -4.75 120.40 124.11 1h3n s VAL 184 Ca 0.53 1.29 0.08 0.00 0.00 0.00 0.00 61.98 63.88 1h3n s VAL 184 Cb -0.37 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1h3n s VAL 184 CO 0.42 0.18 0.18 -1.61 0.00 0.00 0.00 175.10 174.27 1h3n s GLU 185 N -1.98 2.32 -0.04 2.72 2.02 0.26 -4.87 118.70 119.13 1h3n s GLU 185 Ca 0.52 -1.67 0.01 0.00 0.02 0.00 0.00 54.97 53.85 1h3n s GLU 185 Cb -0.29 -2.11 -0.03 0.00 0.10 0.00 0.00 34.13 31.80 1h3n s GLU 185 CO 0.37 -0.01 -0.05 0.15 0.02 0.00 0.00 175.26 175.73 1h3n s LYS 186 N -3.89 2.71 0.11 1.61 1.02 -1.26 0.49 119.74 120.52 1h3n s LYS 186 Ca 0.40 -0.60 -0.10 0.00 0.02 0.00 0.00 55.97 55.69 1h3n s LYS 186 Cb 0.00 -2.59 0.00 0.00 -0.52 0.00 0.00 37.83 34.72 1h3n s LYS 186 CO 0.23 0.64 0.23 1.03 -0.92 0.00 0.00 175.35 176.56 1h3n s ARG 187 N -1.14 0.92 -0.34 1.68 0.52 -0.92 -4.96 118.95 114.71 1h3n s ARG 187 Ca 0.15 -0.97 -0.09 0.00 -0.52 0.00 0.00 55.73 54.30 1h3n s ARG 187 Cb -0.11 0.36 0.02 0.00 0.52 0.00 0.00 34.95 35.74 1h3n s ARG 187 CO 0.05 -0.31 0.15 -2.00 0.02 0.00 0.00 175.30 173.21 1h3n s GLU 188 N -3.87 2.89 0.08 3.54 2.12 -1.26 -0.18 118.70 122.02 1h3n s GLU 188 Ca 0.07 -1.01 -0.08 0.00 0.36 0.00 0.00 54.97 54.31 1h3n s GLU 188 Cb 0.04 -3.58 -0.01 0.00 0.26 0.00 0.00 34.13 30.85 1h3n s GLU 188 CO -0.09 -0.61 0.16 -0.51 -0.54 0.00 0.00 175.26 173.67 1h3n s LEU 189 N 1.52 1.55 -0.31 2.70 1.43 -0.81 -4.92 118.68 119.83 1h3n s LEU 189 Ca 0.02 -0.68 -0.15 0.00 -1.03 0.00 0.00 54.13 52.28 1h3n s LEU 189 Cb -0.19 0.93 -0.02 0.00 0.03 0.00 0.00 46.19 46.94 1h3n s LEU 189 CO 0.05 -0.71 0.36 -0.70 0.23 0.00 0.00 176.35 175.59 1h3n s GLU 190 N -3.82 3.76 0.38 1.70 2.12 -1.26 -2.19 118.70 119.39 1h3n s GLU 190 Ca 0.05 -0.23 0.04 0.00 0.36 0.00 0.00 54.97 55.18 1h3n s GLU 190 Cb 0.05 -3.74 -0.03 0.00 0.26 0.00 0.00 34.13 30.67 1h3n s GLU 190 CO -0.11 -0.42 0.13 -0.65 -0.54 0.00 0.00 175.26 173.68 1h3n s GLN 191 N 2.04 1.85 -0.11 4.30 -1.52 -0.24 -4.91 119.66 121.07 1h3n s GLN 191 Ca 0.13 -2.11 -0.09 0.00 -1.95 0.00 0.00 55.36 51.34 1h3n s GLN 191 Cb -0.16 -0.54 -0.04 0.00 -0.22 0.00 0.00 33.01 32.04 1h3n s GLN 191 CO 0.11 -0.45 0.19 -1.58 -0.25 0.00 0.00 175.29 173.31 1h3n s TRP 192 N -3.28 3.59 0.08 0.91 0.52 -1.26 -1.41 118.94 118.09 1h3n s TRP 192 Ca 0.27 0.58 0.05 0.00 0.02 0.00 0.00 56.10 57.02 1h3n s TRP 192 Cb 0.03 -2.05 -0.03 0.00 -1.15 0.00 0.00 33.47 30.28 1h3n s TRP 192 CO 0.15 0.64 -0.14 0.71 0.02 0.00 0.00 176.95 178.33 1h3n s TYR 193 N -0.77 1.23 -0.21 -1.98 1.51 0.40 -1.58 117.35 115.95 1h3n s TYR 193 Ca 0.16 -0.49 -0.05 0.00 -1.01 0.00 0.00 57.07 55.68 1h3n s TYR 193 Cb -0.13 -0.68 -0.02 0.00 -0.11 0.00 0.00 41.96 41.02 1h3n s TYR 193 CO 0.05 0.07 -0.01 -0.51 -1.11 0.00 0.00 175.55 174.03 1h3n s LEU 194 N -1.91 3.13 -0.85 -1.29 1.43 0.41 -1.62 118.68 117.99 1h3n s LEU 194 Ca 0.00 -0.27 -0.12 0.00 -1.03 0.00 0.00 54.13 52.72 1h3n s LEU 194 Cb -0.09 -1.79 -0.09 0.00 0.03 0.00 0.00 46.19 44.25 1h3n s LEU 194 CO 0.02 0.04 2.02 -1.14 0.23 0.00 0.00 176.35 177.51 1h3n n ARG 195 N 4.43 1.83 0.30 1.70 0.63 0.21 -1.45 116.66 124.32 1h3n n ARG 195 Ca -0.17 -1.59 0.18 0.00 -0.92 0.00 0.00 57.85 55.35 1h3n n ARG 195 Cb 0.51 -2.62 0.88 0.00 0.45 0.00 0.00 32.46 31.68 1h3n n ARG 195 CO 0.00 0.00 0.00 0.97 -2.51 0.00 0.00 177.63 176.09 1h3n h ILE 196 N 3.83 0.12 0.00 5.15 2.10 -1.88 -1.94 117.51 124.89 1h3n h ILE 196 Ca 0.46 -0.36 0.00 0.00 1.08 0.00 0.00 64.86 66.04 1h3n h ILE 196 Cb 0.34 1.31 0.00 0.00 -1.09 0.00 0.00 36.82 37.38 1h3n h ILE 196 CO 1.63 0.03 0.00 0.71 -1.08 0.00 0.00 178.15 179.44 1h3n h THR 197 N 0.00 0.00 0.00 2.19 1.35 -1.84 -1.05 112.91 113.55 1h3n h THR 197 Ca -0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1h3n h THR 197 Cb 0.31 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1h3n h THR 197 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1h3n h ALA 198 N 2.06 1.00 -0.21 6.62 0.00 -1.74 -2.43 119.26 124.56 1h3n h ALA 198 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h3n h ALA 198 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1h3n h ALA 198 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.91 1h3n n TYR 199 N -2.36 0.30 -0.17 0.00 4.02 -0.41 -4.78 117.16 113.77 1h3n n TYR 199 Ca 0.02 -0.53 -0.02 0.00 -0.01 0.00 0.00 57.90 57.36 1h3n n TYR 199 Cb 0.24 -0.05 0.07 0.00 -0.02 0.00 0.00 39.34 39.58 1h3n n TYR 199 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1h3n h ALA 200 N 1.22 0.50 -0.53 -0.72 0.00 -1.36 0.86 119.26 119.23 1h3n h ALA 200 Ca 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1h3n h ALA 200 Cb 0.69 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1h3n h ALA 200 CO 0.01 -0.39 0.18 1.49 0.00 0.00 0.00 179.25 180.54 1h3n h GLU 201 N 0.11 0.82 -0.17 0.00 4.57 -1.86 -1.69 114.58 116.36 1h3n h GLU 201 Ca 0.27 -0.17 -0.13 0.00 -1.18 0.00 0.00 59.36 58.14 1h3n h GLU 201 Cb 0.41 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 1h3n h GLU 201 CO -0.44 0.74 -0.47 0.00 -1.18 0.00 0.00 179.01 177.66 1h3n h ARG 202 N 0.73 0.43 -0.30 1.92 3.08 -1.80 -0.27 114.38 118.18 1h3n h ARG 202 Ca 0.17 -0.24 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 1h3n h ARG 202 Cb 0.25 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1h3n h ARG 202 CO -0.01 0.81 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.48 1h3n h LEU 203 N 0.35 0.50 0.04 3.04 3.38 -0.61 -0.88 115.31 121.13 1h3n h LEU 203 Ca 0.02 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1h3n h LEU 203 Cb 0.96 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1h3n h LEU 203 CO 0.08 0.68 -0.02 0.25 0.09 0.00 0.00 178.44 179.52 1h3n h LEU 204 N 0.47 -0.05 -0.71 1.67 5.85 -1.09 -3.35 115.31 118.10 1h3n h LEU 204 Ca 0.08 -0.62 -0.02 0.00 0.84 0.00 0.00 57.88 58.16 1h3n h LEU 204 Cb 0.54 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1h3n h LEU 204 CO 0.03 0.69 0.37 0.50 -0.34 0.00 0.00 178.44 179.69 1h3n h LYS 205 N -0.89 1.01 0.00 1.25 3.64 -1.05 -2.91 116.57 117.62 1h3n h LYS 205 Ca -0.01 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1h3n h LYS 205 Cb 0.67 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1h3n h LYS 205 CO 0.01 0.77 0.00 -0.25 -2.27 0.00 0.00 179.45 177.71 1h3n n ASP 206 N -4.46 0.00 0.08 4.20 8.00 -0.34 -2.80 116.55 121.24 1h3n n ASP 206 Ca 0.06 -0.58 -0.06 0.00 0.71 0.00 0.00 54.79 54.92 1h3n n ASP 206 Cb 0.11 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.17 1h3n n ASP 206 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1h3n h LEU 207 N 0.00 0.03 -0.53 0.64 3.38 -1.64 -3.38 115.31 113.81 1h3n h LEU 207 Ca 0.00 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.03 1h3n h LEU 207 Cb 0.00 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.64 1h3n h LEU 207 CO 0.00 0.91 -0.43 -0.33 0.09 0.00 0.00 178.44 178.68 1h3n h GLU 208 N 0.01 -0.24 0.14 1.13 5.08 -1.72 -2.98 114.58 116.00 1h3n h GLU 208 Ca -0.01 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1h3n h GLU 208 Cb 1.58 0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.89 1h3n h GLU 208 CO 0.12 -0.16 -0.07 0.78 -1.00 0.00 0.00 179.01 178.68 1h3n h GLY 209 N -0.25 -0.20 -0.54 -3.84 0.00 -1.83 -3.47 103.07 92.94 1h3n h GLY 209 Ca 0.17 0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.50 1h3n h GLY 209 CO -0.66 -0.07 0.02 1.04 0.00 0.00 0.00 176.54 176.87 1h3n n LEU 210 N -5.05 0.03 -3.77 3.11 4.32 -1.13 -4.82 117.00 109.68 1h3n n LEU 210 Ca -0.09 0.10 -0.42 0.00 -0.02 0.00 0.00 56.01 55.58 1h3n n LEU 210 Cb 0.20 -0.08 0.00 0.00 -1.62 0.00 0.00 43.42 41.92 1h3n n LEU 210 CO 0.33 -0.14 2.09 -3.20 -1.22 0.00 0.00 177.39 175.25 1h3n n ASN 211 N 0.19 5.68 -4.46 -1.43 5.15 -1.17 -4.91 115.26 114.31 1h3n n ASN 211 Ca 0.02 -3.10 -0.24 0.00 -0.60 0.00 0.00 54.58 50.66 1h3n n ASN 211 Cb 0.00 -1.46 -0.10 0.00 -0.53 0.00 0.00 39.78 37.69 1h3n n ASN 211 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1h3n s TRP 212 N 0.19 2.24 0.29 1.20 0.52 -1.26 -2.30 118.94 119.82 1h3n s TRP 212 Ca 0.43 -0.35 -0.29 0.00 0.02 0.00 0.00 56.10 55.90 1h3n s TRP 212 Cb 0.12 -0.98 -0.10 0.00 -1.15 0.00 0.00 33.47 31.35 1h3n s TRP 212 CO -0.02 0.67 1.39 -2.14 0.02 0.00 0.00 176.95 176.88 1h3n s PRO 213 N -3.45 4.29 0.40 4.98 0.02 -1.26 -4.89 135.00 135.08 1h3n s PRO 213 Ca 0.29 2.29 0.13 0.00 0.02 0.00 0.00 61.00 63.73 1h3n s PRO 213 Cb -0.05 -3.08 0.95 0.00 0.02 0.00 0.00 34.50 32.34 1h3n s PRO 213 CO 0.14 -0.34 1.90 1.49 -0.33 0.00 0.00 177.00 179.85 1h3n h GLU 214 N 4.22 0.52 -0.86 5.54 4.57 -1.99 -0.91 114.58 125.67 1h3n h GLU 214 Ca -0.48 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 57.71 1h3n h GLU 214 Cb 1.22 -0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 29.65 1h3n h GLU 214 CO 0.72 0.35 0.56 -0.22 -1.18 0.00 0.00 179.01 179.24 1h3n h LYS 215 N 0.54 1.05 -0.22 1.92 3.64 -1.99 0.62 116.57 122.12 1h3n h LYS 215 Ca 0.40 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.59 1h3n h LYS 215 Cb 0.79 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1h3n h LYS 215 CO -0.16 0.69 -0.38 0.28 -2.27 0.00 0.00 179.45 177.61 1h3n h VAL 216 N 1.08 1.32 -0.74 2.00 2.07 -1.54 -2.11 116.25 118.32 1h3n h VAL 216 Ca 0.34 -1.59 0.02 0.00 0.82 0.00 0.00 66.70 66.28 1h3n h VAL 216 Cb 0.01 1.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 1h3n h VAL 216 CO -0.10 0.50 0.48 0.11 0.02 0.00 0.00 177.57 178.58 1h3n h LYS 217 N 0.36 0.94 -0.59 1.57 1.57 -1.09 -1.79 116.57 117.54 1h3n h LYS 217 Ca 0.02 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1h3n h LYS 217 Cb 0.98 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 33.05 1h3n h LYS 217 CO 0.09 0.62 0.28 0.00 -0.57 0.00 0.00 179.45 179.87 1h3n h ALA 218 N 1.29 0.76 -0.75 3.86 0.00 -0.83 -0.83 119.26 122.76 1h3n h ALA 218 Ca 0.28 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1h3n h ALA 218 Cb -0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1h3n h ALA 218 CO -0.08 0.33 0.32 0.52 0.00 0.00 0.00 179.25 180.34 1h3n h MET 219 N 0.80 1.11 -0.29 0.00 2.86 -0.96 -0.98 114.93 117.47 1h3n h MET 219 Ca 0.20 -0.18 -0.17 0.00 -2.06 0.00 0.00 59.70 57.49 1h3n h MET 219 Cb 0.12 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 1h3n h MET 219 CO -0.02 0.88 -0.49 1.96 1.06 0.00 0.00 176.91 180.30 1h3n h GLN 220 N 1.09 0.79 -0.56 1.72 4.20 -1.03 -1.19 115.11 120.12 1h3n h GLN 220 Ca 0.25 -0.47 -0.04 0.00 0.06 0.00 0.00 58.65 58.46 1h3n h GLN 220 Cb 0.18 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 1h3n h GLN 220 CO -0.02 1.10 0.21 0.00 -0.67 0.00 0.00 178.83 179.44 1h3n h ARG 221 N 0.62 0.86 -0.36 1.46 3.08 -0.87 -0.78 114.38 118.39 1h3n h ARG 221 Ca 0.03 -0.17 -0.10 0.00 0.07 0.00 0.00 59.98 59.81 1h3n h ARG 221 Cb 1.07 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 1h3n h ARG 221 CO 0.11 0.75 -0.19 0.00 -1.07 0.00 0.00 179.97 179.57 1h3n h ALA 222 N 1.06 1.00 -0.24 0.04 0.00 -1.12 -0.09 119.26 119.91 1h3n h ALA 222 Ca 0.19 -0.34 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1h3n h ALA 222 Cb 0.23 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1h3n h ALA 222 CO -0.01 0.59 -0.05 2.35 0.00 0.00 0.00 179.25 182.14 1h3n h TRP 223 N 0.60 0.50 -0.57 0.00 2.91 -0.87 -3.05 115.95 115.47 1h3n h TRP 223 Ca 0.09 -0.10 -0.09 0.00 1.13 0.00 0.00 58.89 59.91 1h3n h TRP 223 Cb 0.66 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 29.16 1h3n h TRP 223 CO 0.03 0.67 -0.01 0.82 -1.03 0.00 0.00 178.44 178.92 1h3n h ILE 224 N 0.19 1.27 -6.22 2.65 2.04 -1.07 -3.23 117.51 113.13 1h3n h ILE 224 Ca 0.06 -1.14 -0.35 0.00 1.00 0.00 0.00 64.86 64.44 1h3n h ILE 224 Cb 0.50 0.86 0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1h3n h ILE 224 CO 0.02 0.41 -0.75 0.61 0.00 0.00 0.00 178.15 178.44 1h3n n GLY 225 N -0.40 -1.18 3.74 5.37 0.00 -0.05 -0.83 105.19 111.83 1h3n n GLY 225 Ca 0.02 0.51 -0.42 0.00 0.00 0.00 0.00 46.02 46.14 1h3n n GLY 225 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1h3n s ARG 226 N -4.86 4.15 -0.02 1.61 3.52 -1.26 -2.32 118.95 119.77 1h3n s ARG 226 Ca 0.17 2.52 0.03 0.00 -0.13 0.00 0.00 55.73 58.33 1h3n s ARG 226 Cb -0.07 -3.07 -0.00 0.00 -1.56 0.00 0.00 34.95 30.25 1h3n s ARG 226 CO 0.85 -0.63 -0.12 0.45 -0.81 0.00 0.00 175.30 175.04 1h3n s SER 227 N 0.75 1.43 -0.54 -2.12 0.15 0.11 -4.98 113.70 108.50 1h3n s SER 227 Ca 0.67 -0.22 -0.23 0.00 0.70 0.00 0.00 55.95 56.87 1h3n s SER 227 Cb -0.47 -0.28 0.05 0.00 -1.71 0.00 0.00 66.02 63.60 1h3n s SER 227 CO 0.41 0.12 0.86 -1.61 1.20 0.00 0.00 173.24 174.21 1h3n s GLU 228 N -0.05 3.28 0.00 5.44 0.41 -1.26 -1.34 118.70 125.18 1h3n s GLU 228 Ca 0.00 -0.42 0.00 0.00 -0.41 0.00 0.00 54.97 54.14 1h3n s GLU 228 Cb -0.07 -4.06 0.00 0.00 -1.78 0.00 0.00 34.13 28.21 1h3n s GLU 228 CO 0.00 -1.42 0.00 0.41 -0.49 0.00 0.00 175.26 173.76 1h3n n GLY 229 N 5.13 4.35 3.50 -1.39 0.00 -0.44 -4.72 105.19 111.63 1h3n n GLY 229 Ca -0.00 -2.16 -0.14 0.00 0.00 0.00 0.00 46.02 43.71 1h3n n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h3n s ALA 230 N -2.00 -1.76 -0.23 4.61 0.00 -0.18 -1.21 121.76 120.99 1h3n s ALA 230 Ca 0.00 1.12 -0.06 0.00 0.00 0.00 0.00 51.96 53.02 1h3n s ALA 230 Cb 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 1h3n s ALA 230 CO 0.00 -0.50 0.03 -2.00 0.00 0.00 0.00 175.76 173.30 1h3n s GLU 231 N -2.03 3.60 -0.06 0.00 2.12 -0.38 -0.91 118.70 121.03 1h3n s GLU 231 Ca -0.05 -0.51 0.03 0.00 0.36 0.00 0.00 54.97 54.80 1h3n s GLU 231 Cb -0.00 -3.21 -0.02 0.00 0.26 0.00 0.00 34.13 31.15 1h3n s GLU 231 CO 0.01 -0.14 -0.14 0.42 -0.54 0.00 0.00 175.26 174.87 1h3n s ILE 232 N 1.43 3.06 -0.23 -3.70 1.01 0.19 -1.36 121.20 121.60 1h3n s ILE 232 Ca 0.05 -0.71 -0.13 0.00 0.00 0.00 0.00 60.65 59.85 1h3n s ILE 232 Cb -0.15 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 1h3n s ILE 232 CO 0.02 0.58 0.29 -0.76 0.00 0.00 0.00 174.94 175.07 1h3n s LEU 233 N -0.57 4.11 -0.30 2.97 1.43 -0.44 0.04 118.68 125.92 1h3n s LEU 233 Ca 0.08 0.29 -0.04 0.00 -1.03 0.00 0.00 54.13 53.43 1h3n s LEU 233 Cb -0.11 -2.32 0.03 0.00 0.03 0.00 0.00 46.19 43.82 1h3n s LEU 233 CO 0.01 -0.04 0.04 -0.36 0.23 0.00 0.00 176.35 176.23 1h3n s PHE 234 N 1.38 3.20 0.16 0.29 0.40 -0.10 -4.66 117.98 118.64 1h3n s PHE 234 Ca 0.13 -1.48 -0.31 0.00 -0.60 0.00 0.00 56.93 54.67 1h3n s PHE 234 Cb -0.15 -2.19 -0.09 0.00 0.51 0.00 0.00 43.02 41.10 1h3n s PHE 234 CO 0.07 -0.72 1.50 -2.14 0.70 0.00 0.00 175.22 174.63 1h3n s PRO 235 N 1.37 4.25 -0.12 0.24 0.02 -1.25 -0.24 135.00 139.26 1h3n s PRO 235 Ca -0.02 2.27 -0.22 0.00 0.02 0.00 0.00 61.00 63.05 1h3n s PRO 235 Cb -0.19 -3.18 -0.03 0.00 0.02 0.00 0.00 34.50 31.12 1h3n s PRO 235 CO 0.00 -0.54 0.65 0.08 -0.33 0.00 0.00 177.00 176.87 1h3n s VAL 236 N 1.04 5.05 -0.07 3.83 1.01 -0.98 -0.36 120.40 129.91 1h3n s VAL 236 Ca 0.67 1.30 -0.36 0.00 0.00 0.00 0.00 61.98 63.60 1h3n s VAL 236 Cb -0.41 -3.98 -0.14 0.00 0.00 0.00 0.00 36.38 31.85 1h3n s VAL 236 CO 0.32 0.20 1.74 1.21 0.00 0.00 0.00 175.10 178.57 1h3n n GLU 237 N 4.29 1.84 -0.95 2.72 2.13 0.18 -1.43 120.64 129.42 1h3n n GLU 237 Ca -0.02 0.67 0.00 0.00 0.66 0.00 0.00 57.16 58.47 1h3n n GLU 237 Cb 0.51 -2.45 0.00 0.00 0.27 0.00 0.00 31.44 29.77 1h3n n GLU 237 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1h3n n GLY 238 N 3.99 0.52 3.32 8.31 0.00 -1.26 -4.80 105.19 115.28 1h3n n GLY 238 Ca 0.22 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.06 1h3n n GLY 238 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h3n s LYS 239 N -0.41 1.27 0.05 1.61 -0.14 -0.51 -5.06 119.74 116.54 1h3n s LYS 239 Ca 0.00 -1.55 -0.17 0.00 -1.36 0.00 0.00 55.97 52.89 1h3n s LYS 239 Cb 0.00 -1.03 -0.17 0.00 -1.68 0.00 0.00 37.83 34.95 1h3n s LYS 239 CO 0.00 0.17 1.24 1.49 -0.76 0.00 0.00 175.35 177.49 1h3n h GLU 240 N 2.65 0.54 -6.77 1.68 4.81 -1.95 -3.40 114.58 112.14 1h3n h GLU 240 Ca -0.38 -0.43 -0.56 0.00 -0.13 0.00 0.00 59.36 57.86 1h3n h GLU 240 Cb 1.21 0.09 0.11 0.00 0.63 0.00 0.00 28.75 30.79 1h3n h GLU 240 CO 0.62 1.06 0.55 1.55 -0.73 0.00 0.00 179.01 182.05 1h3n n VAL 241 N -4.22 1.94 -4.04 0.32 3.14 -1.26 -4.85 118.33 109.35 1h3n n VAL 241 Ca -0.08 -0.49 -0.33 0.00 -2.96 0.00 0.00 64.34 60.49 1h3n n VAL 241 Cb 0.60 -1.63 -0.15 0.00 -1.06 0.00 0.00 33.84 31.61 1h3n n VAL 241 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1h3n s ARG 242 N -1.83 2.33 -0.14 1.45 0.52 -1.26 -2.33 118.95 117.69 1h3n s ARG 242 Ca 0.56 -1.30 -0.29 0.00 -0.52 0.00 0.00 55.73 54.18 1h3n s ARG 242 Cb -0.56 -2.92 -0.04 0.00 0.52 0.00 0.00 34.95 31.95 1h3n s ARG 242 CO 0.62 -0.55 1.72 0.42 0.02 0.00 0.00 175.30 177.53 1h3n s ILE 243 N 1.14 3.53 -0.05 1.52 1.01 0.67 -4.61 121.20 124.41 1h3n s ILE 243 Ca -0.07 0.61 -0.30 0.00 0.00 0.00 0.00 60.65 60.89 1h3n s ILE 243 Cb -0.19 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 1h3n s ILE 243 CO -0.05 -0.16 1.14 -2.84 0.00 0.00 0.00 174.94 173.02 1h3n s PRO 244 N 4.62 4.40 -0.07 2.79 0.02 -1.26 -0.93 135.00 144.57 1h3n s PRO 244 Ca 0.76 1.60 0.03 0.00 0.02 0.00 0.00 61.00 63.42 1h3n s PRO 244 Cb -0.30 -3.52 0.00 0.00 0.02 0.00 0.00 34.50 30.71 1h3n s PRO 244 CO 0.31 -0.36 -0.17 0.08 -0.33 0.00 0.00 177.00 176.53 1h3n s VAL 245 N 1.92 1.49 -0.08 3.83 1.01 0.11 -4.72 120.40 123.95 1h3n s VAL 245 Ca 0.54 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.72 1h3n s VAL 245 Cb -0.23 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.79 1h3n s VAL 245 CO 0.22 0.43 0.24 0.12 0.00 0.00 0.00 175.10 176.11 1h3n s PHE 246 N 0.38 3.64 -0.06 5.22 5.36 -1.25 0.54 117.98 131.80 1h3n s PHE 246 Ca -0.12 0.69 -0.12 0.00 -0.96 0.00 0.00 56.93 56.42 1h3n s PHE 246 Cb -0.15 -2.07 0.02 0.00 -0.34 0.00 0.00 43.02 40.48 1h3n s PHE 246 CO 0.05 0.69 0.28 -0.08 -1.46 0.00 0.00 175.22 174.69 1h3n s THR 247 N -0.99 0.03 -1.92 0.12 -1.32 -0.09 -4.74 115.64 106.74 1h3n s THR 247 Ca 0.18 -0.29 0.25 0.00 -1.21 0.00 0.00 61.69 60.62 1h3n s THR 247 Cb -0.14 -0.49 0.19 0.00 -1.51 0.00 0.00 72.50 70.55 1h3n s THR 247 CO 0.07 -0.16 1.41 0.35 -2.21 0.00 0.00 174.62 174.08 1h3n n THR 248 N 2.07 0.00 -3.05 5.08 -2.24 -1.26 -1.01 114.28 113.87 1h3n n THR 248 Ca -0.18 -0.19 -0.26 0.00 -2.27 0.00 0.00 64.05 61.16 1h3n n THR 248 Cb 0.57 0.72 -0.05 0.00 -2.10 0.00 0.00 70.33 69.47 1h3n n THR 248 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1h3n n ARG 249 N -0.35 2.83 0.19 -0.78 5.12 -1.26 -4.71 116.66 117.71 1h3n n ARG 249 Ca 0.12 -4.64 0.14 0.00 -1.93 0.00 0.00 57.85 51.54 1h3n n ARG 249 Cb 0.40 -2.16 0.66 0.00 -1.16 0.00 0.00 32.46 30.19 1h3n n ARG 249 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1h3n h PRO 250 N 3.20 0.00 0.00 5.56 0.13 -1.87 -1.51 132.00 137.52 1h3n h PRO 250 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1h3n h PRO 250 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1h3n h PRO 250 CO 0.78 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.15 1h3n n ASP 251 N -2.50 0.02 -0.85 1.44 5.75 -1.26 -2.38 116.55 116.76 1h3n n ASP 251 Ca 0.00 0.50 0.07 0.00 -0.01 0.00 0.00 54.79 55.36 1h3n n ASP 251 Cb 0.16 -0.51 0.21 0.00 -1.03 0.00 0.00 41.12 39.95 1h3n n ASP 251 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1h3n n THR 252 N -1.52 1.36 -0.28 2.12 -2.24 -0.57 -4.73 114.28 108.42 1h3n n THR 252 Ca 0.04 -1.21 0.09 0.00 -2.27 0.00 0.00 64.05 60.69 1h3n n THR 252 Cb 0.18 0.30 0.24 0.00 -2.10 0.00 0.00 70.33 68.95 1h3n n THR 252 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1h3n h LEU 253 N 2.36 0.26 -1.01 3.22 5.85 -1.60 0.98 115.31 125.36 1h3n h LEU 253 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1h3n h LEU 253 Cb 0.98 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1h3n h LEU 253 CO 0.07 0.04 0.00 0.49 -0.34 0.00 0.00 178.44 178.70 1h3n n PHE 254 N -5.04 0.69 0.08 1.25 3.01 -1.26 -1.69 117.46 114.49 1h3n n PHE 254 Ca 0.18 0.32 0.12 0.00 1.01 0.00 0.00 57.45 59.08 1h3n n PHE 254 Cb 0.52 -1.02 0.26 0.00 -0.01 0.00 0.00 39.48 39.23 1h3n n PHE 254 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1h3n n GLY 255 N -0.75 2.00 3.60 1.37 0.00 0.33 -4.89 105.19 106.85 1h3n n GLY 255 Ca 0.00 -0.77 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 1h3n n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h3n s ALA 256 N -1.33 3.09 -1.89 4.61 0.00 -0.68 -4.47 121.76 121.09 1h3n s ALA 256 Ca 0.43 -0.27 0.22 0.00 0.00 0.00 0.00 51.96 52.34 1h3n s ALA 256 Cb 0.24 -3.92 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 1h3n s ALA 256 CO 0.33 -2.34 1.06 0.25 0.00 0.00 0.00 175.76 175.06 1h3n n THR 257 N 6.98 0.00 -3.60 0.00 -2.24 -0.80 -4.96 114.28 109.65 1h3n n THR 257 Ca 0.15 -0.23 -0.05 0.00 -2.27 0.00 0.00 64.05 61.65 1h3n n THR 257 Cb 0.48 1.22 -0.02 0.00 -2.10 0.00 0.00 70.33 69.92 1h3n n THR 257 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1h3n s PHE 258 N -2.53 -0.21 0.13 4.78 -0.71 -1.25 -4.21 117.98 113.98 1h3n s PHE 258 Ca 0.17 0.05 0.08 0.00 -1.04 0.00 0.00 56.93 56.19 1h3n s PHE 258 Cb 0.18 0.56 -0.04 0.00 -1.21 0.00 0.00 43.02 42.51 1h3n s PHE 258 CO 0.61 -0.51 -0.12 -0.51 -1.34 0.00 0.00 175.22 173.34 1h3n s LEU 259 N -2.60 2.92 -0.08 -1.99 1.43 -0.61 -0.44 118.68 117.30 1h3n s LEU 259 Ca 0.09 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 1h3n s LEU 259 Cb -0.00 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.54 1h3n s LEU 259 CO -0.05 0.16 -0.07 -0.69 0.23 0.00 0.00 176.35 175.93 1h3n s VAL 260 N -1.33 0.89 -0.06 -1.59 1.01 -0.55 -0.97 120.40 117.80 1h3n s VAL 260 Ca 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 1h3n s VAL 260 Cb -0.10 -0.89 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1h3n s VAL 260 CO 0.13 0.33 0.05 -0.76 0.00 0.00 0.00 175.10 174.84 1h3n s LEU 261 N 1.35 3.79 0.50 3.92 1.43 0.10 -1.50 118.68 128.28 1h3n s LEU 261 Ca -0.03 0.18 -0.23 0.00 -1.03 0.00 0.00 54.13 53.02 1h3n s LEU 261 Cb -0.14 -2.02 -0.06 0.00 0.03 0.00 0.00 46.19 44.00 1h3n s LEU 261 CO -0.03 0.34 1.31 0.00 0.23 0.00 0.00 176.35 178.20 1h3n s ALA 262 N -1.03 2.94 0.46 4.21 0.00 -0.06 -2.49 121.76 125.80 1h3n s ALA 262 Ca 0.17 1.24 0.20 0.00 0.00 0.00 0.00 51.96 53.58 1h3n s ALA 262 Cb -0.12 -3.52 1.20 0.00 0.00 0.00 0.00 23.12 20.68 1h3n s ALA 262 CO 0.07 -1.13 1.92 -1.35 0.00 0.00 0.00 175.76 175.27 1h3n h PRO 263 N 1.79 0.25 -0.00 0.00 0.11 -1.78 -0.27 132.00 132.10 1h3n h PRO 263 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1h3n h PRO 263 Cb 1.28 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1h3n h PRO 263 CO 0.59 0.17 -0.16 0.39 -0.21 0.00 0.00 178.00 178.77 1h3n n GLU 264 N -4.43 0.57 -1.85 1.05 4.71 -1.26 -4.84 120.64 114.58 1h3n n GLU 264 Ca 0.15 -0.22 -0.42 0.00 -0.01 0.00 0.00 57.16 56.66 1h3n n GLU 264 Cb 0.63 -1.50 -0.02 0.00 -1.01 0.00 0.00 31.44 29.54 1h3n n GLU 264 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 1h3n s HIS 265 N -2.59 2.90 0.37 -0.32 2.46 -0.11 -4.87 115.29 113.12 1h3n s HIS 265 Ca 0.25 0.73 0.13 0.00 0.47 0.00 0.00 55.06 56.63 1h3n s HIS 265 Cb 0.20 -4.00 0.94 0.00 -0.13 0.00 0.00 32.58 29.58 1h3n s HIS 265 CO 0.51 -3.49 1.81 -1.35 -2.47 0.00 0.00 174.74 169.76 1h3n h PRO 266 N 5.62 0.55 0.00 2.88 0.11 -1.90 -1.49 132.00 137.78 1h3n h PRO 266 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1h3n h PRO 266 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1h3n h PRO 266 CO 0.84 0.36 0.00 -0.07 -0.21 0.00 0.00 178.00 178.93 1h3n h LEU 267 N 0.56 0.00 -0.33 2.35 3.38 -1.94 -3.20 115.31 116.13 1h3n h LEU 267 Ca 0.53 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.54 1h3n h LEU 267 Cb 1.09 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 1h3n h LEU 267 CO -0.27 0.00 0.09 0.74 0.09 0.00 0.00 178.44 179.08 1h3n h THR 268 N 0.00 0.87 0.18 0.22 2.02 -1.56 0.72 112.91 115.35 1h3n h THR 268 Ca 0.00 -0.07 -0.32 0.00 0.77 0.00 0.00 66.41 66.79 1h3n h THR 268 Cb 0.53 0.64 0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1h3n h THR 268 CO 0.00 0.04 -1.49 -0.07 0.37 0.00 0.00 175.52 174.37 1h3n h LEU 269 N 0.22 0.59 -0.89 2.58 3.38 -1.75 -3.18 115.31 116.26 1h3n h LEU 269 Ca 0.15 -0.71 -0.00 0.00 0.09 0.00 0.00 57.88 57.41 1h3n h LEU 269 Cb 0.15 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1h3n h LEU 269 CO -0.18 1.57 0.54 -0.08 0.09 0.00 0.00 178.44 180.39 1h3n h GLU 270 N 0.10 1.20 -0.00 1.13 4.81 -1.51 -2.83 114.58 117.47 1h3n h GLU 270 Ca -0.24 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1h3n h GLU 270 Cb 2.07 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 31.20 1h3n h GLU 270 CO 0.21 0.84 -0.25 1.28 -0.73 0.00 0.00 179.01 180.36 1h3n n LEU 271 N -4.41 0.69 -4.73 1.64 4.77 0.23 -4.92 117.00 110.27 1h3n n LEU 271 Ca 0.10 -0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.58 1h3n n LEU 271 Cb 0.05 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 40.93 1h3n n LEU 271 CO 0.38 0.14 1.22 0.00 -1.33 0.00 0.00 177.39 177.80 1h3n s ALA 272 N -2.63 3.76 0.60 -1.18 0.00 -1.07 -4.51 121.76 116.73 1h3n s ALA 272 Ca 0.22 1.45 -0.18 0.00 0.00 0.00 0.00 51.96 53.45 1h3n s ALA 272 Cb 0.19 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1h3n s ALA 272 CO 0.54 -0.85 1.20 0.00 0.00 0.00 0.00 175.76 176.66 1h3n s ALA 273 N 0.53 2.53 0.21 0.00 0.00 0.35 -4.72 121.76 120.66 1h3n s ALA 273 Ca 0.66 0.97 -0.14 0.00 0.00 0.00 0.00 51.96 53.46 1h3n s ALA 273 Cb -0.45 -3.44 0.24 0.00 0.00 0.00 0.00 23.12 19.47 1h3n s ALA 273 CO 0.39 -1.18 1.62 -1.35 0.00 0.00 0.00 175.76 175.24 1h3n h PRO 274 N 0.81 -0.01 0.00 0.00 0.11 -1.93 0.21 132.00 131.20 1h3n h PRO 274 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1h3n h PRO 274 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1h3n h PRO 274 CO 0.55 -0.01 0.00 -0.85 -0.21 0.00 0.00 178.00 177.48 1h3n n GLU 275 N -5.44 0.18 -0.00 1.05 0.28 -1.26 -2.44 120.64 113.01 1h3n n GLU 275 Ca 0.08 0.50 0.10 0.00 -0.16 0.00 0.00 57.16 57.67 1h3n n GLU 275 Cb 0.34 -1.92 -0.13 0.00 1.43 0.00 0.00 31.44 31.16 1h3n n GLU 275 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 1h3n n LYS 276 N -2.28 0.59 -0.32 3.44 4.76 0.61 -4.60 118.16 120.36 1h3n n LYS 276 Ca 0.01 -0.10 0.13 0.00 -2.87 0.00 0.00 58.31 55.49 1h3n n LYS 276 Cb 0.17 -1.45 0.32 0.00 -1.84 0.00 0.00 35.03 32.23 1h3n n LYS 276 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 1h3n h ARG 277 N 0.00 0.52 -0.03 1.97 2.43 -0.82 -0.80 114.38 117.65 1h3n h ARG 277 Ca 0.00 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1h3n h ARG 277 Cb 0.71 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1h3n h ARG 277 CO 0.00 0.34 0.01 1.49 -1.51 0.00 0.00 179.97 180.30 1h3n h GLU 278 N 0.53 0.05 -0.61 0.20 4.81 -1.81 -0.85 114.58 116.91 1h3n h GLU 278 Ca 0.57 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.70 1h3n h GLU 278 Cb 1.02 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 1h3n h GLU 278 CO -0.47 0.25 0.02 1.49 -0.73 0.00 0.00 179.01 179.57 1h3n h GLU 279 N -0.15 1.05 -0.30 1.92 4.81 -1.73 -2.23 114.58 117.95 1h3n h GLU 279 Ca 0.01 -0.32 -0.04 0.00 -0.13 0.00 0.00 59.36 58.89 1h3n h GLU 279 Cb 0.22 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 1h3n h GLU 279 CO -0.00 1.01 0.04 0.28 -0.73 0.00 0.00 179.01 179.61 1h3n h VAL 280 N 0.96 1.24 -0.88 0.32 2.07 -1.11 -1.79 116.25 117.06 1h3n h VAL 280 Ca 0.18 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 1h3n h VAL 280 Cb 0.53 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1h3n h VAL 280 CO 0.03 0.27 0.49 0.25 0.02 0.00 0.00 177.57 178.63 1h3n h LEU 281 N 0.32 1.10 -0.52 2.57 5.85 -1.07 -0.13 115.31 123.42 1h3n h LEU 281 Ca 0.09 -0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1h3n h LEU 281 Cb 0.37 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 1h3n h LEU 281 CO 0.01 0.88 0.09 0.00 -0.34 0.00 0.00 178.44 179.08 1h3n h ALA 282 N 1.30 0.69 -0.61 1.25 0.00 -1.27 -1.04 119.26 119.58 1h3n h ALA 282 Ca 0.31 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1h3n h ALA 282 Cb 0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1h3n h ALA 282 CO -0.05 0.42 0.15 -0.92 0.00 0.00 0.00 179.25 178.85 1h3n h TYR 283 N 0.75 1.03 -0.58 0.00 5.03 -0.82 -0.57 116.97 121.81 1h3n h TYR 283 Ca 0.16 -0.12 -0.07 0.00 2.58 0.00 0.00 58.73 61.28 1h3n h TYR 283 Cb 0.39 -0.29 -0.02 0.00 1.55 0.00 0.00 36.73 38.35 1h3n h TYR 283 CO 0.03 0.87 0.10 0.28 -1.32 0.00 0.00 178.16 178.12 1h3n h VAL 284 N 0.90 1.26 -0.57 1.81 2.07 -0.88 -1.31 116.25 119.53 1h3n h VAL 284 Ca 0.19 -0.97 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 1h3n h VAL 284 Cb 0.35 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1h3n h VAL 284 CO 0.00 0.35 0.07 -0.33 0.02 0.00 0.00 177.57 177.69 1h3n h GLU 285 N 0.86 0.95 -0.60 1.57 5.08 -0.93 -2.47 114.58 119.03 1h3n h GLU 285 Ca 0.18 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 1h3n h GLU 285 Cb 0.40 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1h3n h GLU 285 CO 0.01 0.92 0.14 0.00 -1.00 0.00 0.00 179.01 179.08 1h3n h ALA 286 N 0.99 0.80 -0.73 3.43 0.00 -0.94 -2.78 119.26 120.03 1h3n h ALA 286 Ca 0.17 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1h3n h ALA 286 Cb 0.45 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1h3n h ALA 286 CO 0.02 0.51 0.48 0.00 0.00 0.00 0.00 179.25 180.25 1h3n h ALA 287 N 1.04 0.94 0.00 0.00 0.00 -1.08 -2.32 119.26 117.83 1h3n h ALA 287 Ca 0.19 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1h3n h ALA 287 Cb 0.36 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1h3n h ALA 287 CO 0.00 0.31 -0.23 -0.22 0.00 0.00 0.00 179.25 179.12 1h3n h LYS 288 N 0.96 0.00 0.00 0.00 3.64 -1.20 -2.46 116.57 117.51 1h3n h LYS 288 Ca 0.28 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.64 1h3n h LYS 288 Cb -0.07 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 1h3n h LYS 288 CO -0.08 0.23 -0.07 0.00 -2.27 0.00 0.00 179.45 177.26 1h3n h ARG 289 N 0.00 0.00 -7.38 1.90 3.08 -1.15 -3.43 114.38 107.39 1h3n h ARG 289 Ca -0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.54 1h3n h ARG 289 Cb 0.45 0.00 0.09 0.00 0.08 0.00 0.00 29.97 30.60 1h3n h ARG 289 CO 0.03 0.07 0.38 0.15 -1.07 0.00 0.00 179.97 179.53 1h3n s LYS 290 N -4.33 2.82 0.49 0.04 1.02 -0.93 -5.07 119.74 113.77 1h3n s LYS 290 Ca -0.04 0.78 -0.01 0.00 0.02 0.00 0.00 55.97 56.72 1h3n s LYS 290 Cb 0.14 -1.99 -0.00 0.00 -0.52 0.00 0.00 37.83 35.46 1h3n s LYS 290 CO 0.57 -1.14 0.73 0.95 -0.92 0.00 0.00 175.35 175.54 1h3n s THR 291 N -3.14 3.89 0.20 2.17 -4.23 -1.26 -4.91 115.64 108.37 1h3n s THR 291 Ca 0.58 -0.37 -0.10 0.00 -1.18 0.00 0.00 61.69 60.62 1h3n s THR 291 Cb -0.13 -3.46 0.14 0.00 1.34 0.00 0.00 72.50 70.38 1h3n s THR 291 CO 0.54 -0.36 1.74 -0.33 -0.54 0.00 0.00 174.62 175.67 1h3n h GLU 292 N 0.25 0.36 0.10 3.99 4.39 -1.97 -1.14 114.58 120.56 1h3n h GLU 292 Ca -0.46 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1h3n h GLU 292 Cb 1.25 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 1h3n h GLU 292 CO 0.58 0.24 -0.10 0.82 -1.16 0.00 0.00 179.01 179.39 1h3n h ILE 293 N 0.37 0.78 -0.73 3.13 2.04 -1.94 0.14 117.51 121.29 1h3n h ILE 293 Ca 0.29 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.25 1h3n h ILE 293 Cb 0.37 0.78 -0.07 0.00 -0.74 0.00 0.00 36.82 37.15 1h3n h ILE 293 CO -0.31 0.00 0.37 -0.33 0.00 0.00 0.00 178.15 177.88 1h3n h GLU 294 N -0.21 0.60 0.00 2.37 5.08 -1.75 -0.28 114.58 120.39 1h3n h GLU 294 Ca 0.00 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1h3n h GLU 294 Cb 0.21 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1h3n h GLU 294 CO -0.03 0.40 -0.46 0.00 -1.00 0.00 0.00 179.01 177.92 1h3n h ARG 295 N 0.62 0.00 -0.06 2.33 3.08 -1.05 -2.61 114.38 116.69 1h3n h ARG 295 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 1h3n h ARG 295 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1h3n h ARG 295 CO -0.28 0.46 0.00 0.94 -1.07 0.00 0.00 179.97 180.03 1h3n n GLN 296 N -3.33 1.16 -0.46 0.04 -0.06 0.46 -4.90 117.38 110.29 1h3n n GLN 296 Ca 0.01 -0.24 -0.29 0.00 -2.00 0.00 0.00 57.00 54.48 1h3n n GLN 296 Cb 0.65 -1.17 0.25 0.00 -4.06 0.00 0.00 30.24 25.92 1h3n n GLN 296 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1h3n n ALA 297 N -0.41 -3.58 -1.98 1.69 0.00 -0.43 -5.00 120.51 110.80 1h3n n ALA 297 Ca 0.08 -1.37 0.00 0.00 0.00 0.00 0.00 53.44 52.15 1h3n n ALA 297 Cb 0.09 -1.80 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1h3n n ALA 297 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1h3n n GLU 298 N -4.56 0.00 -0.00 0.00 1.02 -1.26 -4.84 120.64 111.00 1h3n n GLU 298 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1h3n n GLU 298 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.98 1h3n n GLU 298 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1h3n n GLY 299 N 3.91 0.36 3.82 0.62 0.00 -1.26 -4.83 105.19 107.82 1h3n n GLY 299 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1h3n n GLY 299 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h3n s ARG 300 N 0.87 4.16 0.51 1.61 0.52 -1.26 -5.03 118.95 120.34 1h3n s ARG 300 Ca 0.00 0.74 -0.23 0.00 -0.52 0.00 0.00 55.73 55.73 1h3n s ARG 300 Cb 0.00 -2.90 -0.06 0.00 0.52 0.00 0.00 34.95 32.50 1h3n s ARG 300 CO 0.00 0.43 1.32 -1.91 0.02 0.00 0.00 175.30 175.16 1h3n n GLU 301 N 0.77 1.76 -2.35 3.54 4.07 -1.26 -4.94 120.64 122.24 1h3n n GLU 301 Ca -0.03 0.64 -0.42 0.00 -0.06 0.00 0.00 57.16 57.29 1h3n n GLU 301 Cb 0.51 -2.51 -0.03 0.00 -0.06 0.00 0.00 31.44 29.35 1h3n n GLU 301 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1h3n s LYS 302 N -2.66 4.43 0.17 5.31 -0.14 -1.26 -5.04 119.74 120.54 1h3n s LYS 302 Ca 0.68 1.88 0.04 0.00 -1.36 0.00 0.00 55.97 57.20 1h3n s LYS 302 Cb -0.44 -3.28 -0.05 0.00 -1.68 0.00 0.00 37.83 32.38 1h3n s LYS 302 CO 0.52 -0.24 -0.05 0.95 -0.76 0.00 0.00 175.35 175.77 1h3n s THR 303 N 0.66 1.02 0.00 2.17 -4.23 -1.26 -5.09 115.64 108.91 1h3n s THR 303 Ca 0.58 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 1h3n s THR 303 Cb -0.32 -2.03 0.00 0.00 1.34 0.00 0.00 72.50 71.49 1h3n s THR 303 CO 0.32 -0.58 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 1h3n n GLY 304 N -0.26 1.23 2.91 3.99 0.00 -1.26 -3.94 105.19 107.86 1h3n n GLY 304 Ca -0.08 -0.88 -0.18 0.00 0.00 0.00 0.00 46.02 44.87 1h3n n GLY 304 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h3n s VAL 305 N -2.00 0.47 -0.13 1.61 1.01 -0.53 -5.00 120.40 115.83 1h3n s VAL 305 Ca 0.00 -0.14 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 1h3n s VAL 305 Cb 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 1h3n s VAL 305 CO 0.00 0.19 1.16 0.12 0.00 0.00 0.00 175.10 176.56 1h3n s PHE 306 N 0.59 3.16 -0.36 5.22 5.36 -1.26 -1.80 117.98 128.89 1h3n s PHE 306 Ca -0.07 1.26 0.26 0.00 -0.96 0.00 0.00 56.93 57.41 1h3n s PHE 306 Cb -0.11 -3.38 1.05 0.00 -0.34 0.00 0.00 43.02 40.24 1h3n s PHE 306 CO -0.00 -1.10 1.77 -0.07 -1.46 0.00 0.00 175.22 174.36 1h3n h LEU 307 N 8.89 0.00 0.00 6.12 3.38 -1.73 -3.47 115.31 128.50 1h3n h LEU 307 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1h3n h LEU 307 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1h3n h LEU 307 CO 0.92 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.06 1h3n n GLY 308 N 0.08 0.45 3.17 0.83 0.00 -1.26 -0.50 105.19 107.96 1h3n n GLY 308 Ca 0.02 -0.93 -0.15 0.00 0.00 0.00 0.00 46.02 44.96 1h3n n GLY 308 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h3n s ALA 309 N -2.00 1.09 0.14 4.61 0.00 -1.26 -4.52 121.76 119.83 1h3n s ALA 309 Ca 0.00 -1.14 0.08 0.00 0.00 0.00 0.00 51.96 50.90 1h3n s ALA 309 Cb 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1h3n s ALA 309 CO 0.00 -0.00 -0.18 0.71 0.00 0.00 0.00 175.76 176.29 1h3n s TYR 310 N -2.20 1.70 0.29 0.00 1.51 -1.26 -1.33 117.35 116.06 1h3n s TYR 310 Ca 0.03 -0.48 0.08 0.00 -1.01 0.00 0.00 57.07 55.69 1h3n s TYR 310 Cb -0.04 -0.87 -0.06 0.00 -0.11 0.00 0.00 41.96 40.88 1h3n s TYR 310 CO 0.00 0.26 -0.10 0.00 -1.11 0.00 0.00 175.55 174.61 1h3n s ALA 311 N -1.94 2.51 -0.19 3.71 0.00 0.06 -0.64 121.76 125.27 1h3n s ALA 311 Ca 0.12 -1.92 -0.06 0.00 0.00 0.00 0.00 51.96 50.11 1h3n s ALA 311 Cb -0.06 0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 1h3n s ALA 311 CO 0.05 0.03 0.01 -0.51 0.00 0.00 0.00 175.76 175.35 1h3n s LEU 312 N -3.48 3.40 -0.23 0.00 2.01 0.51 -0.71 118.68 120.19 1h3n s LEU 312 Ca 0.29 -0.12 -0.29 0.00 0.01 0.00 0.00 54.13 54.02 1h3n s LEU 312 Cb 0.02 -1.86 -0.02 0.00 0.01 0.00 0.00 46.19 44.34 1h3n s LEU 312 CO 0.13 0.10 1.42 0.21 1.01 0.00 0.00 176.35 179.22 1h3n s ASN 313 N 0.78 6.63 0.55 2.29 3.84 0.12 -3.93 114.94 125.22 1h3n s ASN 313 Ca 0.01 1.52 0.24 0.00 0.21 0.00 0.00 52.86 54.85 1h3n s ASN 313 Cb -0.14 -2.54 1.46 0.00 -0.55 0.00 0.00 41.25 39.48 1h3n s ASN 313 CO 0.02 -1.06 2.07 -0.65 -2.79 0.00 0.00 177.10 174.69 1h3n h PRO 314 N 9.55 0.00 0.15 0.43 0.11 -1.89 0.79 132.00 141.14 1h3n h PRO 314 Ca -0.30 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.55 1h3n h PRO 314 Cb 1.12 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.24 1h3n h PRO 314 CO 1.00 0.00 -1.27 0.00 -0.21 0.00 0.00 178.00 177.53 1h3n h ALA 315 N 1.81 0.05 0.00 -0.75 0.00 -1.90 -3.38 119.26 115.09 1h3n h ALA 315 Ca 0.13 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1h3n h ALA 315 Cb 0.57 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1h3n h ALA 315 CO -0.00 0.69 -1.28 0.25 0.00 0.00 0.00 179.25 178.91 1h3n n THR 316 N -3.93 0.03 -1.18 0.00 -2.24 -1.14 -4.95 114.28 100.86 1h3n n THR 316 Ca -0.21 -0.18 -0.06 0.00 -2.27 0.00 0.00 64.05 61.33 1h3n n THR 316 Cb 0.92 0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 69.69 1h3n n THR 316 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h3n n GLY 317 N 1.41 0.76 3.90 3.38 0.00 0.27 -4.98 105.19 109.94 1h3n n GLY 317 Ca 0.01 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 1h3n n GLY 317 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1h3n s GLU 318 N -2.13 3.59 -0.00 1.61 -1.05 -1.23 -4.77 118.70 114.72 1h3n s GLU 318 Ca 0.00 -0.15 -0.30 0.00 -0.15 0.00 0.00 54.97 54.37 1h3n s GLU 318 Cb 0.00 -2.86 -0.04 0.00 -0.44 0.00 0.00 34.13 30.79 1h3n s GLU 318 CO 0.00 0.47 1.18 0.50 0.95 0.00 0.00 175.26 178.36 1h3n s ARG 319 N -2.72 4.41 -0.01 -4.83 3.52 -1.26 -0.70 118.95 117.36 1h3n s ARG 319 Ca 0.40 1.69 0.03 0.00 -0.13 0.00 0.00 55.73 57.72 1h3n s ARG 319 Cb -0.12 -3.46 -0.01 0.00 -1.56 0.00 0.00 34.95 29.80 1h3n s ARG 319 CO 0.25 -0.33 -0.08 0.96 -0.81 0.00 0.00 175.30 175.29 1h3n s ILE 320 N 1.60 0.66 0.56 4.11 -4.36 0.12 -4.95 121.20 118.94 1h3n s ILE 320 Ca 0.57 -0.36 -0.19 0.00 -0.26 0.00 0.00 60.65 60.40 1h3n s ILE 320 Cb -0.26 -0.56 -0.05 0.00 1.25 0.00 0.00 42.46 42.84 1h3n s ILE 320 CO 0.26 0.19 1.18 -2.16 0.24 0.00 0.00 174.94 174.65 1h3n s PRO 321 N -0.19 3.17 -0.19 0.37 0.04 -1.26 -0.76 135.00 136.19 1h3n s PRO 321 Ca 0.03 1.77 -0.03 0.00 0.04 0.00 0.00 61.00 62.80 1h3n s PRO 321 Cb -0.03 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 1h3n s PRO 321 CO -0.00 -1.03 -0.05 0.42 0.04 0.00 0.00 177.00 176.38 1h3n s ILE 322 N -1.64 3.56 0.32 0.56 1.01 -0.45 -1.57 121.20 123.00 1h3n s ILE 322 Ca 0.75 -0.45 0.08 0.00 0.00 0.00 0.00 60.65 61.02 1h3n s ILE 322 Cb -0.28 -2.59 -0.06 0.00 0.01 0.00 0.00 42.46 39.54 1h3n s ILE 322 CO 0.32 0.45 -0.05 0.26 0.00 0.00 0.00 174.94 175.91 1h3n s TRP 323 N 0.96 2.20 -0.03 3.97 0.52 -0.14 -1.93 118.94 124.49 1h3n s TRP 323 Ca 0.00 -0.64 0.06 0.00 0.02 0.00 0.00 56.10 55.54 1h3n s TRP 323 Cb -0.15 -1.31 -0.01 0.00 -1.15 0.00 0.00 33.47 30.85 1h3n s TRP 323 CO 0.01 0.39 -0.22 -0.08 0.02 0.00 0.00 176.95 177.08 1h3n s THR 324 N -2.84 1.73 -0.17 2.01 -1.32 -0.75 0.02 115.64 114.32 1h3n s THR 324 Ca 0.32 -0.92 -0.18 0.00 -1.21 0.00 0.00 61.69 59.70 1h3n s THR 324 Cb 0.04 -1.45 0.05 0.00 -1.51 0.00 0.00 72.50 69.63 1h3n s THR 324 CO 0.15 0.49 0.49 0.00 -2.21 0.00 0.00 174.62 173.54 1h3n s ALA 325 N -0.40 -1.22 0.46 11.08 0.00 -1.04 -1.45 121.76 129.18 1h3n s ALA 325 Ca 0.05 1.34 0.21 0.00 0.00 0.00 0.00 51.96 53.56 1h3n s ALA 325 Cb -0.09 -0.73 1.20 0.00 0.00 0.00 0.00 23.12 23.50 1h3n s ALA 325 CO 0.00 -0.24 1.88 -0.44 0.00 0.00 0.00 175.76 176.96 1h3n h ASP 326 N 5.18 0.27 0.23 0.00 3.32 -1.90 -2.18 116.42 121.34 1h3n h ASP 326 Ca -0.28 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.80 1h3n h ASP 326 Cb 1.17 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1h3n h ASP 326 CO 0.21 0.11 0.00 0.00 -1.72 0.00 0.00 179.24 177.85 1h3n n TYR 327 N -4.44 0.00 -3.99 4.55 0.18 -1.26 -4.53 117.16 107.68 1h3n n TYR 327 Ca 0.18 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.60 1h3n n TYR 327 Cb 0.73 -0.24 -0.13 0.00 -0.38 0.00 0.00 39.34 39.33 1h3n n TYR 327 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1h3n s VAL 328 N -2.47 3.97 -0.02 -3.48 1.01 -0.82 -5.09 120.40 113.50 1h3n s VAL 328 Ca 0.15 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 61.67 1h3n s VAL 328 Cb 0.10 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 1h3n s VAL 328 CO 0.21 0.41 0.44 -0.76 0.00 0.00 0.00 175.10 175.41 1h3n s LEU 329 N 1.17 4.43 0.46 3.92 1.43 -1.26 -4.46 118.68 124.37 1h3n s LEU 329 Ca 0.03 0.96 0.16 0.00 -1.03 0.00 0.00 54.13 54.25 1h3n s LEU 329 Cb -0.14 -2.65 1.08 0.00 0.03 0.00 0.00 46.19 44.51 1h3n s LEU 329 CO 0.02 0.23 2.01 0.15 0.23 0.00 0.00 176.35 178.99 1h3n h PHE 330 N 5.23 0.00 0.00 0.29 3.57 -1.94 -2.37 116.94 121.72 1h3n h PHE 330 Ca -0.48 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.01 1h3n h PHE 330 Cb 1.21 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.95 1h3n h PHE 330 CO 0.68 0.16 -0.04 0.78 -2.23 0.00 0.00 178.31 177.66 1h3n h GLY 331 N 0.54 0.00 -5.13 2.40 0.00 -1.94 -3.16 103.07 95.78 1h3n h GLY 331 Ca -0.00 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.75 1h3n h GLY 331 CO 0.02 0.00 0.78 -0.47 0.00 0.00 0.00 176.54 176.87 1h3n s TYR 332 N -3.66 3.34 0.00 5.60 6.14 -0.89 -4.85 117.35 123.02 1h3n s TYR 332 Ca 0.01 1.45 0.00 0.00 0.64 0.00 0.00 57.07 59.17 1h3n s TYR 332 Cb 0.09 -3.26 0.00 0.00 0.42 0.00 0.00 41.96 39.21 1h3n s TYR 332 CO 0.57 -0.48 0.00 0.41 0.64 0.00 0.00 175.55 176.69 1h3n n GLY 333 N 3.35 3.72 1.17 8.97 0.00 -1.26 -1.17 105.19 119.97 1h3n n GLY 333 Ca 0.12 0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.31 1h3n n GLY 333 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1h3n n THR 334 N 0.00 0.76 -1.00 2.61 -2.24 -1.26 -4.90 114.28 108.25 1h3n n THR 334 Ca 0.00 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 1h3n n THR 334 Cb 0.00 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1h3n n THR 334 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h3n n GLY 335 N 1.52 0.59 2.93 3.38 0.00 -0.31 -5.00 105.19 108.30 1h3n n GLY 335 Ca 0.21 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.11 1h3n n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h3n s ALA 336 N -2.39 -0.16 0.13 4.61 0.00 -1.26 -0.88 121.76 121.81 1h3n s ALA 336 Ca 0.00 0.26 0.04 0.00 0.00 0.00 0.00 51.96 52.26 1h3n s ALA 336 Cb 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 1h3n s ALA 336 CO 0.00 -0.05 -0.10 0.96 0.00 0.00 0.00 175.76 176.57 1h3n s ILE 337 N 0.25 1.07 -0.24 0.00 -4.36 -0.56 -3.87 121.20 113.49 1h3n s ILE 337 Ca -0.02 -1.97 -0.11 0.00 -0.26 0.00 0.00 60.65 58.30 1h3n s ILE 337 Cb -0.03 -1.74 -0.05 0.00 1.25 0.00 0.00 42.46 41.90 1h3n s ILE 337 CO -0.01 -0.73 0.18 0.00 0.24 0.00 0.00 174.94 174.62 1h3n s MET 338 N -3.58 4.08 -0.07 0.37 0.00 -1.26 -1.48 119.30 117.36 1h3n s MET 338 Ca 0.14 -0.23 -0.23 0.00 0.00 0.00 0.00 55.69 55.36 1h3n s MET 338 Cb 0.02 -3.54 -0.04 0.00 0.00 0.00 0.00 34.83 31.27 1h3n s MET 338 CO -0.00 0.05 0.69 0.00 0.00 0.00 0.00 175.02 175.76 1h3n s ALA 339 N 1.08 3.34 -0.59 3.16 0.00 0.41 -4.98 121.76 124.18 1h3n s ALA 339 Ca 0.08 0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.21 1h3n s ALA 339 Cb -0.14 -2.94 0.17 0.00 0.00 0.00 0.00 23.12 20.21 1h3n s ALA 339 CO 0.05 -0.10 0.43 0.08 0.00 0.00 0.00 175.76 176.22 1h3n s VAL 340 N 0.79 1.92 0.38 0.00 1.01 -1.26 -1.90 120.40 121.34 1h3n s VAL 340 Ca 0.37 -3.65 0.16 0.00 0.00 0.00 0.00 61.98 58.87 1h3n s VAL 340 Cb -0.18 -2.28 0.37 0.00 0.00 0.00 0.00 36.38 34.30 1h3n s VAL 340 CO 0.18 -1.09 1.77 -0.65 0.00 0.00 0.00 175.10 175.31 1h3n h PRO 341 N 5.51 0.43 0.00 2.72 0.11 -1.80 -0.80 132.00 138.17 1h3n h PRO 341 Ca 0.19 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 1h3n h PRO 341 Cb 0.81 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 1h3n h PRO 341 CO 0.59 0.29 -0.06 0.00 -0.21 0.00 0.00 178.00 178.60 1h3n h ALA 342 N 1.64 1.03 0.00 -0.75 0.00 -1.88 -3.28 119.26 116.01 1h3n h ALA 342 Ca 0.59 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1h3n h ALA 342 Cb 1.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1h3n h ALA 342 CO -0.32 0.08 -0.09 0.72 0.00 0.00 0.00 179.25 179.64 1h3n n HIS 343 N -3.21 0.00 -3.53 0.00 8.25 -0.41 -1.09 115.22 115.23 1h3n n HIS 343 Ca 0.00 -0.38 -0.21 0.00 -0.26 0.00 0.00 57.72 56.87 1h3n n HIS 343 Cb 0.31 -0.06 -0.14 0.00 1.12 0.00 0.00 29.99 31.22 1h3n n HIS 343 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1h3n s ASP 344 N -1.13 1.71 0.34 0.41 -1.08 -0.60 -4.28 116.67 112.04 1h3n s ASP 344 Ca 0.07 -0.36 0.07 0.00 -0.52 0.00 0.00 52.55 51.81 1h3n s ASP 344 Cb 0.06 0.17 0.75 0.00 -1.46 0.00 0.00 42.92 42.44 1h3n s ASP 344 CO 0.01 -0.34 1.87 -0.61 0.52 0.00 0.00 175.17 176.62 1h3n h GLN 345 N 8.35 0.74 -0.37 4.34 5.75 -1.88 0.38 115.11 132.43 1h3n h GLN 345 Ca -0.16 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.24 1h3n h GLN 345 Cb 1.15 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 29.52 1h3n h GLN 345 CO 0.29 0.49 0.04 0.00 -2.65 0.00 0.00 178.83 177.00 1h3n h ARG 346 N 0.77 0.62 -0.40 1.69 3.08 -1.96 -2.06 114.38 116.12 1h3n h ARG 346 Ca 0.45 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 60.23 1h3n h ARG 346 Cb 0.64 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 1h3n h ARG 346 CO -0.21 0.70 -0.14 -0.44 -1.07 0.00 0.00 179.97 178.80 1h3n h ASP 347 N 0.45 0.72 0.20 7.04 3.32 -1.48 -2.70 116.42 123.98 1h3n h ASP 347 Ca 0.11 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 56.95 1h3n h ASP 347 Cb 0.39 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 1h3n h ASP 347 CO 0.01 0.87 -0.26 0.22 -1.72 0.00 0.00 179.24 178.36 1h3n h TYR 348 N 0.65 -0.70 -0.86 4.55 5.03 -0.05 0.48 116.97 126.08 1h3n h TYR 348 Ca 0.11 0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.47 1h3n h TYR 348 Cb 0.61 0.28 -0.05 0.00 1.55 0.00 0.00 36.73 39.12 1h3n h TYR 348 CO 0.03 -0.37 0.56 0.93 -1.32 0.00 0.00 178.16 177.99 1h3n h GLU 349 N -0.52 1.02 -0.27 1.82 5.08 -1.31 0.14 114.58 120.53 1h3n h GLU 349 Ca 0.01 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.22 1h3n h GLU 349 Cb 0.51 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1h3n h GLU 349 CO -0.10 0.67 -0.16 0.35 -1.00 0.00 0.00 179.01 178.78 1h3n h PHE 350 N 1.05 0.69 -0.39 4.33 3.04 -1.14 -1.94 116.94 122.58 1h3n h PHE 350 Ca 0.35 -0.18 0.00 0.00 3.98 0.00 0.00 57.97 62.12 1h3n h PHE 350 Cb 0.06 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 38.40 1h3n h PHE 350 CO -0.00 0.85 0.25 0.00 -2.02 0.00 0.00 178.31 177.39 1h3n h ALA 351 N 0.73 0.49 -0.76 2.41 0.00 -0.35 -1.62 119.26 120.16 1h3n h ALA 351 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1h3n h ALA 351 Cb 0.68 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1h3n h ALA 351 CO 0.05 -0.03 0.48 0.00 0.00 0.00 0.00 179.25 179.74 1h3n h ARG 352 N 0.52 1.03 -0.46 0.00 2.47 -0.94 0.34 114.38 117.33 1h3n h ARG 352 Ca 0.14 -0.08 -0.14 0.00 -1.26 0.00 0.00 59.98 58.64 1h3n h ARG 352 Cb -0.04 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.05 1h3n h ARG 352 CO -0.03 0.71 -0.25 -0.22 0.56 0.00 0.00 179.97 180.74 1h3n h LYS 353 N 1.04 0.99 -0.64 0.04 3.64 -1.08 -3.25 116.57 117.32 1h3n h LYS 353 Ca 0.28 -0.44 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 1h3n h LYS 353 Cb -0.07 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1h3n h LYS 353 CO -0.05 1.12 0.00 1.19 -2.27 0.00 0.00 179.45 179.43 1h3n n PHE 354 N -4.10 1.20 -3.40 1.91 3.72 -0.63 -4.98 117.46 111.18 1h3n n PHE 354 Ca -0.00 -0.57 -0.18 0.00 -0.05 0.00 0.00 57.45 56.64 1h3n n PHE 354 Cb 0.48 -0.14 0.08 0.00 -0.94 0.00 0.00 39.48 38.96 1h3n n PHE 354 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1h3n n GLY 355 N 1.18 -0.36 3.90 1.37 0.00 -0.08 -5.02 105.19 106.18 1h3n n GLY 355 Ca 0.24 0.11 -0.28 0.00 0.00 0.00 0.00 46.02 46.09 1h3n n GLY 355 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h3n s LEU 356 N -6.37 4.24 0.49 0.99 1.43 -0.10 -5.04 118.68 114.33 1h3n s LEU 356 Ca 0.18 0.16 -0.23 0.00 -1.03 0.00 0.00 54.13 53.21 1h3n s LEU 356 Cb -0.08 -2.84 -0.07 0.00 0.03 0.00 0.00 46.19 43.23 1h3n s LEU 356 CO 0.68 0.11 1.25 -2.65 0.23 0.00 0.00 176.35 175.98 1h3n n PRO 357 N -0.12 1.69 -3.94 1.29 -0.02 -1.26 -4.64 135.00 128.00 1h3n n PRO 357 Ca -0.07 0.61 -0.30 0.00 -2.02 0.00 0.00 63.50 61.73 1h3n n PRO 357 Cb 0.53 -2.42 -0.16 0.00 -0.02 0.00 0.00 33.50 31.43 1h3n n PRO 357 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1h3n s ILE 358 N -1.28 1.42 -0.13 4.25 1.01 -1.26 -4.76 121.20 120.46 1h3n s ILE 358 Ca 0.67 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 60.38 1h3n s ILE 358 Cb -0.46 -1.60 0.01 0.00 0.01 0.00 0.00 42.46 40.43 1h3n s ILE 358 CO 0.53 0.06 -0.18 -0.75 0.00 0.00 0.00 174.94 174.61 1h3n s LYS 359 N 1.48 2.55 0.03 2.79 2.20 -1.26 -4.93 119.74 122.60 1h3n s LYS 359 Ca -0.02 -0.68 -0.29 0.00 -0.36 0.00 0.00 55.97 54.62 1h3n s LYS 359 Cb -0.17 -2.15 -0.04 0.00 -1.51 0.00 0.00 37.83 33.96 1h3n s LYS 359 CO -0.07 -0.08 0.94 0.21 -0.36 0.00 0.00 175.35 175.99 1h3n s LYS 360 N 1.02 4.59 0.00 4.03 2.20 -1.26 -4.46 119.74 125.86 1h3n s LYS 360 Ca -0.04 1.38 0.00 0.00 -0.36 0.00 0.00 55.97 56.94 1h3n s LYS 360 Cb -0.15 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 32.74 1h3n s LYS 360 CO -0.04 0.06 0.08 1.33 -0.36 0.00 0.00 175.35 176.42 1h3n n VAL 361 N 3.49 0.00 -3.96 4.02 0.24 -1.26 -4.66 118.33 116.20 1h3n n VAL 361 Ca 0.04 -0.15 -0.29 0.00 -2.04 0.00 0.00 64.34 61.89 1h3n n VAL 361 Cb 0.50 1.36 -0.16 0.00 -1.47 0.00 0.00 33.84 34.07 1h3n n VAL 361 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1h3n s ILE 362 N -0.15 1.38 0.00 1.34 -1.09 -1.26 -0.26 121.20 121.16 1h3n s ILE 362 Ca 0.00 -0.72 -0.13 0.00 -2.23 0.00 0.00 60.65 57.57 1h3n s ILE 362 Cb 0.00 -1.44 -0.06 0.00 -1.58 0.00 0.00 42.46 39.38 1h3n s ILE 362 CO 0.00 0.24 0.39 -0.70 -1.23 0.00 0.00 174.94 173.64 1h3n s GLU 363 N 1.53 3.86 -0.02 2.79 2.56 0.12 -4.84 118.70 124.70 1h3n s GLU 363 Ca 0.01 0.34 -0.30 0.00 0.00 0.00 0.00 54.97 55.02 1h3n s GLU 363 Cb -0.15 -3.19 -0.03 0.00 2.00 0.00 0.00 34.13 32.77 1h3n s GLU 363 CO -0.09 0.68 1.01 0.50 -0.56 0.00 0.00 175.26 176.80 1h3n s ARG 364 N -1.19 4.51 0.61 4.30 3.52 -1.26 -1.08 118.95 128.36 1h3n s ARG 364 Ca 0.24 1.44 -0.19 0.00 -0.13 0.00 0.00 55.73 57.10 1h3n s ARG 364 Cb -0.16 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.72 1h3n s ARG 364 CO 0.13 -0.14 1.11 -2.30 -0.81 0.00 0.00 175.30 173.30 1h3n n PRO 365 N 4.20 1.04 0.00 5.12 -0.02 -1.26 -4.12 135.00 139.96 1h3n n PRO 365 Ca 0.07 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 1h3n n PRO 365 Cb 0.50 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1h3n n PRO 365 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h3n n GLY 366 N 1.11 2.04 3.65 -1.23 0.00 -1.26 -4.75 105.19 104.75 1h3n n GLY 366 Ca 0.14 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 1h3n n GLY 366 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h3n s GLU 367 N 0.00 4.16 0.79 1.61 2.12 -1.26 -5.00 118.70 121.11 1h3n s GLU 367 Ca 0.00 1.40 -0.14 0.00 0.36 0.00 0.00 54.97 56.59 1h3n s GLU 367 Cb 0.00 -3.74 0.07 0.00 0.26 0.00 0.00 34.13 30.72 1h3n s GLU 367 CO 0.00 -0.78 1.22 -2.30 -0.54 0.00 0.00 175.26 172.85 1h3n n PRO 368 N 6.68 0.32 -2.00 4.30 -0.02 -1.26 -4.72 135.00 138.30 1h3n n PRO 368 Ca 0.13 0.18 -0.38 0.00 -2.02 0.00 0.00 63.50 61.42 1h3n n PRO 368 Cb 0.46 -2.45 0.02 0.00 -0.02 0.00 0.00 33.50 31.51 1h3n n PRO 368 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1h3n s LEU 369 N -5.46 3.91 0.77 2.45 1.43 -1.26 -4.97 118.68 115.54 1h3n s LEU 369 Ca 0.75 2.55 -0.12 0.00 -1.03 0.00 0.00 54.13 56.28 1h3n s LEU 369 Cb -0.30 -4.27 0.05 0.00 0.03 0.00 0.00 46.19 41.70 1h3n s LEU 369 CO 0.49 -1.29 1.14 -2.16 0.23 0.00 0.00 176.35 174.76 1h3n s PRO 370 N -2.83 2.31 -0.09 1.29 0.04 -1.26 -5.06 135.00 129.40 1h3n s PRO 370 Ca 0.68 0.24 -0.01 0.00 0.04 0.00 0.00 61.00 61.95 1h3n s PRO 370 Cb -0.35 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.24 1h3n s PRO 370 CO 0.41 -1.37 -0.02 -1.21 0.04 0.00 0.00 177.00 174.85 1h3n s GLU 371 N -5.49 0.90 0.74 4.56 0.41 -1.26 -3.45 118.70 115.12 1h3n s GLU 371 Ca 0.60 -0.03 -0.11 0.00 -0.41 0.00 0.00 54.97 55.03 1h3n s GLU 371 Cb -0.11 -1.21 0.04 0.00 -1.78 0.00 0.00 34.13 31.06 1h3n s GLU 371 CO 0.50 -0.31 1.08 -1.25 -0.49 0.00 0.00 175.26 174.79 1h3n s PRO 372 N 1.88 2.53 -0.11 0.39 0.04 -1.26 -5.12 135.00 133.35 1h3n s PRO 372 Ca 0.05 1.09 -0.28 0.00 0.04 0.00 0.00 61.00 61.90 1h3n s PRO 372 Cb -0.13 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 1h3n s PRO 372 CO -0.06 -1.42 0.94 -1.17 0.04 0.00 0.00 177.00 175.32 1h3n s LEU 373 N -5.76 4.24 0.04 -3.56 2.96 -1.22 -4.94 118.68 110.45 1h3n s LEU 373 Ca 0.60 1.43 0.23 0.00 -0.22 0.00 0.00 54.13 56.17 1h3n s LEU 373 Cb -0.16 -3.44 0.09 0.00 0.50 0.00 0.00 46.19 43.18 1h3n s LEU 373 CO 0.55 -0.40 1.07 -0.62 -1.32 0.00 0.00 176.35 175.64 1h3n n GLU 374 N 4.88 0.23 -3.48 1.98 -0.58 -1.26 -4.97 120.64 117.44 1h3n n GLU 374 Ca 0.07 -0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.70 1h3n n GLU 374 Cb 0.49 -1.57 -0.02 0.00 -0.57 0.00 0.00 31.44 29.76 1h3n n GLU 374 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 1h3n s ARG 375 N -3.15 0.98 0.56 3.49 1.70 -1.26 -5.12 118.95 116.15 1h3n s ARG 375 Ca 0.05 -0.30 -0.19 0.00 -0.47 0.00 0.00 55.73 54.82 1h3n s ARG 375 Cb 0.15 0.45 -0.05 0.00 -0.57 0.00 0.00 34.95 34.93 1h3n s ARG 375 CO 0.79 -0.42 1.11 0.00 -1.08 0.00 0.00 175.30 175.71 1h3n s ALA 376 N -3.11 2.67 -0.40 7.88 0.00 -1.26 -4.99 121.76 122.56 1h3n s ALA 376 Ca 0.02 0.73 -0.07 0.00 0.00 0.00 0.00 51.96 52.64 1h3n s ALA 376 Cb -0.01 -3.33 0.08 0.00 0.00 0.00 0.00 23.12 19.85 1h3n s ALA 376 CO -0.09 -0.82 0.21 -0.47 0.00 0.00 0.00 175.76 174.60 1h3n s TYR 377 N -1.93 3.36 -2.36 0.00 5.04 -0.25 -4.87 117.35 116.34 1h3n s TYR 377 Ca 0.71 -1.65 0.24 0.00 -2.44 0.00 0.00 57.07 53.92 1h3n s TYR 377 Cb -0.22 -2.84 0.24 0.00 0.35 0.00 0.00 41.96 39.48 1h3n s TYR 377 CO 0.29 -0.84 1.26 0.39 -1.34 0.00 0.00 175.55 175.31 1h3n n GLU 378 N 4.84 1.58 -2.43 4.97 1.02 -1.26 -4.32 120.64 125.03 1h3n n GLU 378 Ca -0.09 -1.25 -0.25 0.00 -0.02 0.00 0.00 57.16 55.55 1h3n n GLU 378 Cb 0.43 -1.47 0.04 0.00 -0.02 0.00 0.00 31.44 30.42 1h3n n GLU 378 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1h3n s GLU 379 N -2.28 2.64 0.73 3.49 8.01 -1.26 -5.06 118.70 124.97 1h3n s GLU 379 Ca 0.24 -0.26 -0.15 0.00 0.01 0.00 0.00 54.97 54.82 1h3n s GLU 379 Cb 0.19 -2.30 0.04 0.00 -4.31 0.00 0.00 34.13 27.75 1h3n s GLU 379 CO 0.46 -0.84 1.18 -2.14 0.01 0.00 0.00 175.26 173.93 1h3n s PRO 380 N -5.00 2.19 0.00 0.39 0.02 -1.26 -5.00 135.00 126.35 1h3n s PRO 380 Ca 0.56 1.66 0.00 0.00 0.02 0.00 0.00 61.00 63.24 1h3n s PRO 380 Cb -0.11 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.56 1h3n s PRO 380 CO 0.43 -1.77 0.00 0.41 -0.33 0.00 0.00 177.00 175.74 1h3n n GLY 381 N 0.17 2.69 3.44 0.52 0.00 -1.26 -4.71 105.19 106.04 1h3n n GLY 381 Ca 0.13 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 1h3n n GLY 381 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h3n s ILE 382 N -0.98 3.48 0.26 -0.61 -1.09 -0.24 0.09 121.20 122.11 1h3n s ILE 382 Ca 0.00 -0.51 -0.30 0.00 -2.23 0.00 0.00 60.65 57.61 1h3n s ILE 382 Cb 0.00 -2.49 -0.10 0.00 -1.58 0.00 0.00 42.46 38.29 1h3n s ILE 382 CO 0.00 0.51 1.42 -0.04 -1.23 0.00 0.00 174.94 175.60 1h3n s MET 383 N 0.31 4.28 0.03 2.79 -1.94 -0.11 0.16 119.30 124.81 1h3n s MET 383 Ca -0.07 2.28 -0.04 0.00 -1.71 0.00 0.00 55.69 56.15 1h3n s MET 383 Cb -0.15 -3.11 -0.01 0.00 2.01 0.00 0.00 34.83 33.57 1h3n s MET 383 CO 0.04 -0.38 0.06 0.54 -0.01 0.00 0.00 175.02 175.27 1h3n s VAL 384 N -0.17 0.13 -1.40 -6.03 0.11 0.64 -0.99 120.40 112.69 1h3n s VAL 384 Ca 0.58 -1.07 -0.08 0.00 -2.93 0.00 0.00 61.98 58.48 1h3n s VAL 384 Cb -0.41 -0.75 0.05 0.00 -1.53 0.00 0.00 36.38 33.73 1h3n s VAL 384 CO 0.45 -0.59 0.57 0.59 -3.33 0.00 0.00 175.10 172.79 1h3n n ASN 385 N 0.99 -4.77 -2.34 3.54 3.02 -1.26 -4.18 115.26 110.25 1h3n n ASN 385 Ca -0.20 -0.37 -0.19 0.00 -0.03 0.00 0.00 54.58 53.79 1h3n n ASN 385 Cb 0.58 -3.89 0.02 0.00 -0.61 0.00 0.00 39.78 35.87 1h3n n ASN 385 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1h3n n SER 386 N -2.42 3.96 0.00 6.41 7.64 -1.26 -4.89 113.62 123.07 1h3n n SER 386 Ca -0.05 -3.34 0.00 0.00 1.01 0.00 0.00 58.87 56.49 1h3n n SER 386 Cb 0.57 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1h3n n SER 386 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1h3n n GLY 387 N -0.57 3.35 0.06 0.23 0.00 -1.26 -1.52 105.19 105.47 1h3n n GLY 387 Ca 0.33 0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.53 1h3n n GLY 387 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1h3n n PRO 388 N 14.00 0.10 0.01 1.61 -0.04 -1.26 -2.98 135.00 146.44 1h3n n PRO 388 Ca 0.00 0.30 0.13 0.00 -0.04 0.00 0.00 63.50 63.90 1h3n n PRO 388 Cb 0.00 -1.68 0.43 0.00 -0.04 0.00 0.00 33.50 32.21 1h3n n PRO 388 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1h3n n PHE 389 N -1.86 0.10 -1.57 0.54 3.72 -0.58 -4.93 117.46 112.87 1h3n n PHE 389 Ca 0.03 0.03 -0.50 0.00 -0.05 0.00 0.00 57.45 56.96 1h3n n PHE 389 Cb 0.22 -0.44 -0.04 0.00 -0.94 0.00 0.00 39.48 38.28 1h3n n PHE 389 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1h3n n ASP 390 N -1.59 1.24 0.00 4.37 8.00 -1.16 -1.73 116.55 125.68 1h3n n ASP 390 Ca 0.06 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.70 1h3n n ASP 390 Cb 0.35 -1.19 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 1h3n n ASP 390 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1h3n n GLY 391 N 2.06 1.69 3.76 0.44 0.00 -0.16 -4.98 105.19 108.00 1h3n n GLY 391 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1h3n n GLY 391 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h3n s THR 392 N -2.33 4.14 0.23 2.61 2.01 -0.70 -4.75 115.64 116.83 1h3n s THR 392 Ca 0.00 1.99 -0.30 0.00 0.31 0.00 0.00 61.69 63.69 1h3n s THR 392 Cb 0.00 -4.25 -0.09 0.00 0.01 0.00 0.00 72.50 68.17 1h3n s THR 392 CO 0.00 0.44 1.30 -1.61 -0.69 0.00 0.00 174.62 174.06 1h3n s GLU 393 N -1.32 4.40 0.09 4.92 2.02 -1.26 -0.94 118.70 126.61 1h3n s GLU 393 Ca 0.42 2.07 -0.18 0.00 0.02 0.00 0.00 54.97 57.30 1h3n s GLU 393 Cb -0.24 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 30.77 1h3n s GLU 393 CO 0.30 -0.21 1.10 0.43 0.02 0.00 0.00 175.26 176.89 1h3n n SER 394 N 2.22 -0.62 -0.01 -0.19 7.64 0.11 0.07 113.62 122.85 1h3n n SER 394 Ca 0.05 1.24 -0.09 0.00 1.01 0.00 0.00 58.87 61.07 1h3n n SER 394 Cb 0.43 -0.23 -0.03 0.00 -1.01 0.00 0.00 64.21 63.37 1h3n n SER 394 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1h3n h GLU 395 N 0.00 -0.26 -0.41 1.43 4.39 -1.92 -0.01 114.58 117.80 1h3n h GLU 395 Ca 0.09 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.78 1h3n h GLU 395 Cb 0.24 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 1h3n h GLU 395 CO -0.55 -0.17 0.13 1.49 -1.16 0.00 0.00 179.01 178.75 1h3n h GLU 396 N -0.27 0.59 -0.66 2.33 4.81 -1.76 -2.23 114.58 117.39 1h3n h GLU 396 Ca 0.10 -0.09 0.08 0.00 -0.13 0.00 0.00 59.36 59.33 1h3n h GLU 396 Cb 0.42 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 1h3n h GLU 396 CO -0.30 0.52 0.43 0.78 -0.73 0.00 0.00 179.01 179.71 1h3n h GLY 397 N 0.77 0.78 0.85 1.92 0.00 0.15 -1.50 103.07 106.05 1h3n h GLY 397 Ca 0.14 -0.24 0.02 0.00 0.00 0.00 0.00 47.33 47.25 1h3n h GLY 397 CO -0.01 0.16 0.11 0.50 0.00 0.00 0.00 176.54 177.31 1h3n h LYS 398 N 0.59 0.24 -0.82 4.80 1.57 -0.63 0.18 116.57 122.50 1h3n h LYS 398 Ca 0.29 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 59.02 1h3n h LYS 398 Cb 0.38 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 1h3n h LYS 398 CO -0.09 0.16 0.38 0.00 -0.57 0.00 0.00 179.45 179.32 1h3n h ARG 399 N 0.25 1.19 -0.41 3.15 3.08 -1.36 -1.24 114.38 119.03 1h3n h ARG 399 Ca 0.11 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 1h3n h ARG 399 Cb 0.05 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1h3n h ARG 399 CO -0.09 0.93 0.01 0.87 -1.07 0.00 0.00 179.97 180.61 1h3n h LYS 400 N 1.17 0.72 -0.50 0.04 1.57 -0.89 -1.39 116.57 117.29 1h3n h LYS 400 Ca 0.28 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1h3n h LYS 400 Cb 0.14 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1h3n h LYS 400 CO -0.03 0.80 0.17 0.28 -0.57 0.00 0.00 179.45 180.10 1h3n h VAL 401 N 0.55 1.22 -0.64 0.50 2.07 -0.79 -1.07 116.25 118.09 1h3n h VAL 401 Ca 0.12 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 66.94 1h3n h VAL 401 Cb 0.47 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1h3n h VAL 401 CO 0.02 0.27 0.40 0.40 0.02 0.00 0.00 177.57 178.68 1h3n h ILE 402 N 0.67 1.11 -0.73 4.57 2.04 -1.10 0.18 117.51 124.25 1h3n h ILE 402 Ca 0.16 -0.28 -0.06 0.00 1.00 0.00 0.00 64.86 65.69 1h3n h ILE 402 Cb 0.24 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.52 1h3n h ILE 402 CO -0.01 0.15 0.23 0.00 0.00 0.00 0.00 178.15 178.52 1h3n h ALA 403 N 1.26 1.04 -0.21 1.87 0.00 -0.98 -1.63 119.26 120.61 1h3n h ALA 403 Ca 0.25 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1h3n h ALA 403 Cb -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1h3n h ALA 403 CO -0.09 0.65 0.02 2.35 0.00 0.00 0.00 179.25 182.18 1h3n h TRP 404 N 1.08 0.38 -0.38 0.00 7.01 -0.55 -1.86 115.95 121.62 1h3n h TRP 404 Ca 0.24 -0.06 0.03 0.00 2.11 0.00 0.00 58.89 61.21 1h3n h TRP 404 Cb 0.29 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.22 1h3n h TRP 404 CO 0.02 0.52 0.18 -0.07 -2.79 0.00 0.00 178.44 176.31 1h3n h LEU 405 N 0.14 0.27 -0.53 0.65 3.38 -0.41 -1.29 115.31 117.51 1h3n h LEU 405 Ca 0.06 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1h3n h LEU 405 Cb 0.36 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1h3n h LEU 405 CO 0.01 0.20 0.04 -0.33 0.09 0.00 0.00 178.44 178.44 1h3n h GLU 406 N 0.38 0.91 -0.32 1.13 5.08 -1.26 0.12 114.58 120.61 1h3n h GLU 406 Ca 0.16 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1h3n h GLU 406 Cb 0.08 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 1h3n h GLU 406 CO -0.12 0.91 0.05 1.49 -1.00 0.00 0.00 179.01 180.34 1h3n h GLU 407 N 0.78 0.47 -0.04 2.33 4.81 -1.05 -2.76 114.58 119.12 1h3n h GLU 407 Ca 0.15 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1h3n h GLU 407 Cb 0.48 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1h3n h GLU 407 CO 0.02 0.46 0.00 1.63 -0.73 0.00 0.00 179.01 180.39 1h3n n LYS 408 N -4.34 2.20 -2.70 1.92 4.76 -0.51 -4.97 118.16 114.52 1h3n n LYS 408 Ca 0.01 -1.74 -0.15 0.00 -2.87 0.00 0.00 58.31 53.57 1h3n n LYS 408 Cb 0.20 -1.47 0.02 0.00 -1.84 0.00 0.00 35.03 31.94 1h3n n LYS 408 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1h3n n GLY 409 N 1.32 -0.12 0.21 0.72 0.00 -0.16 -4.91 105.19 102.26 1h3n n GLY 409 Ca 0.15 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 46.05 1h3n n GLY 409 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h3n n LEU 410 N -2.65 1.23 0.00 0.99 4.77 0.23 -5.02 117.00 116.55 1h3n n LEU 410 Ca -0.08 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 1h3n n LEU 410 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1h3n n LEU 410 CO 0.30 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 1h3n n GLY 411 N 1.21 -1.46 3.20 -0.72 0.00 -1.17 -1.33 105.19 104.91 1h3n n GLY 411 Ca 0.05 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 1h3n n GLY 411 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h3n s LYS 412 N -1.35 0.47 0.59 1.61 -2.85 -0.46 -3.20 119.74 114.55 1h3n s LYS 412 Ca 0.00 0.14 -0.20 0.00 -1.00 0.00 0.00 55.97 54.91 1h3n s LYS 412 Cb 0.00 0.22 -0.03 0.00 -2.06 0.00 0.00 37.83 35.95 1h3n s LYS 412 CO 0.00 -0.10 1.30 0.20 0.10 0.00 0.00 175.35 176.85 1h3n s GLY 413 N -0.49 2.85 -0.23 0.59 0.00 -1.26 -1.25 107.32 107.53 1h3n s GLY 413 Ca -0.06 1.21 -0.03 0.00 0.00 0.00 0.00 44.72 45.84 1h3n s GLY 413 CO 0.02 1.67 0.32 -1.60 0.00 0.00 0.00 173.10 173.51 1h3n s ARG 414 N -3.15 0.29 0.16 2.90 3.52 -0.35 -4.78 118.95 117.54 1h3n s ARG 414 Ca 0.77 0.40 -0.28 0.00 -0.13 0.00 0.00 55.73 56.49 1h3n s ARG 414 Cb -0.37 -0.74 -0.08 0.00 -1.56 0.00 0.00 34.95 32.20 1h3n s ARG 414 CO 0.41 -0.66 0.86 0.08 -0.81 0.00 0.00 175.30 175.19 1h3n s VAL 415 N 2.46 4.34 0.29 7.11 1.01 -1.26 -1.33 120.40 133.03 1h3n s VAL 415 Ca 0.11 1.89 0.02 0.00 0.00 0.00 0.00 61.98 64.00 1h3n s VAL 415 Cb -0.16 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 1h3n s VAL 415 CO -0.15 0.46 0.10 0.42 0.00 0.00 0.00 175.10 175.93 1h3n s THR 416 N -0.80 0.63 0.04 3.92 -4.23 -0.45 -4.95 115.64 109.80 1h3n s THR 416 Ca 0.40 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.93 1h3n s THR 416 Cb -0.24 -2.63 -0.02 0.00 1.34 0.00 0.00 72.50 70.95 1h3n s THR 416 CO 0.28 0.00 -0.08 -0.31 -0.54 0.00 0.00 174.62 173.98 1h3n s TYR 417 N -3.61 0.66 0.09 3.99 2.02 -1.26 0.04 117.35 119.28 1h3n s TYR 417 Ca 0.36 -0.45 0.15 0.00 -0.37 0.00 0.00 57.07 56.76 1h3n s TYR 417 Cb 0.07 -0.40 0.35 0.00 -0.40 0.00 0.00 41.96 41.58 1h3n s TYR 417 CO 0.15 -0.07 1.58 -0.09 -1.57 0.00 0.00 175.55 175.54 1h3n h ARG 418 N 4.67 0.00 -6.58 -0.62 2.43 -0.57 -3.45 114.38 110.27 1h3n h ARG 418 Ca -0.35 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.23 1h3n h ARG 418 Cb 1.20 0.00 0.08 0.00 -0.42 0.00 0.00 29.97 30.83 1h3n h ARG 418 CO 0.42 0.53 0.58 -0.11 -1.51 0.00 0.00 179.97 179.88 1h3n n LEU 419 N -3.47 3.01 -4.63 3.80 7.94 -0.92 -5.00 117.00 117.73 1h3n n LEU 419 Ca 0.00 1.15 -0.23 0.00 -1.11 0.00 0.00 56.01 55.82 1h3n n LEU 419 Cb 0.64 -1.42 -0.07 0.00 0.53 0.00 0.00 43.42 43.10 1h3n n LEU 419 CO 0.40 -0.56 -0.34 -0.13 -1.11 0.00 0.00 177.39 175.65 1h3n s ARG 420 N -0.52 2.23 0.83 1.96 1.81 -1.26 -4.93 118.95 119.07 1h3n s ARG 420 Ca 0.67 -1.46 -0.12 0.00 -1.72 0.00 0.00 55.73 53.10 1h3n s ARG 420 Cb -0.66 -2.12 0.10 0.00 -0.45 0.00 0.00 34.95 31.82 1h3n s ARG 420 CO 0.51 0.36 1.19 -0.51 -0.68 0.00 0.00 175.30 176.16 1h3n s ASP 421 N -3.66 3.49 -0.46 0.23 1.01 -1.26 -4.72 116.67 111.30 1h3n s ASP 421 Ca 0.31 2.30 -0.23 0.00 0.71 0.00 0.00 52.55 55.64 1h3n s ASP 421 Cb -0.06 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.32 1h3n s ASP 421 CO 0.19 -2.73 0.80 0.86 0.21 0.00 0.00 175.17 174.50 1h3n s TRP 422 N -2.29 2.98 -0.44 4.23 -0.00 -0.52 -4.86 118.94 118.02 1h3n s TRP 422 Ca 0.71 0.15 -0.29 0.00 -0.00 0.00 0.00 56.10 56.67 1h3n s TRP 422 Cb -0.27 -3.71 0.01 0.00 -0.00 0.00 0.00 33.47 29.50 1h3n s TRP 422 CO 0.52 -1.02 1.43 -1.17 -0.00 0.00 0.00 176.95 176.71 1h3n s LEU 423 N 3.35 3.54 -0.07 5.86 0.20 -1.26 -0.44 118.68 129.86 1h3n s LEU 423 Ca 0.30 0.73 0.18 0.00 0.69 0.00 0.00 54.13 56.04 1h3n s LEU 423 Cb -0.12 -3.44 -0.28 0.00 -0.43 0.00 0.00 46.19 41.92 1h3n s LEU 423 CO 0.22 -1.51 0.32 2.30 -0.29 0.00 0.00 176.35 177.40 1h3n n ILE 424 N 7.06 0.33 -2.23 6.68 -5.35 -0.62 -4.24 119.36 120.99 1h3n n ILE 424 Ca 0.16 -0.52 -0.38 0.00 -0.27 0.00 0.00 62.75 61.74 1h3n n ILE 424 Cb 0.48 -0.10 -0.01 0.00 -1.74 0.00 0.00 39.64 38.27 1h3n n ILE 424 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1h3n s SER 425 N -4.46 6.38 0.01 7.28 1.04 -1.23 -1.25 113.70 121.46 1h3n s SER 425 Ca -0.07 2.40 0.01 0.00 0.48 0.00 0.00 55.95 58.77 1h3n s SER 425 Cb 0.10 -2.62 -0.01 0.00 0.10 0.00 0.00 66.02 63.60 1h3n s SER 425 CO 0.78 -0.78 -0.04 -0.13 0.98 0.00 0.00 173.24 174.04 1h3n s ARG 426 N -2.39 0.32 -0.87 4.02 1.81 0.86 -4.74 118.95 117.95 1h3n s ARG 426 Ca 0.59 -0.33 -0.04 0.00 -1.72 0.00 0.00 55.73 54.23 1h3n s ARG 426 Cb -0.32 -0.20 0.12 0.00 -0.45 0.00 0.00 34.95 34.11 1h3n s ARG 426 CO 0.40 0.05 2.50 1.04 -0.68 0.00 0.00 175.30 178.60 1h3n n GLN 427 N 2.45 3.54 -4.26 3.54 3.00 -1.26 -1.21 117.38 123.18 1h3n n GLN 427 Ca -0.16 -3.05 -0.18 0.00 -0.01 0.00 0.00 57.00 53.59 1h3n n GLN 427 Cb 0.57 -2.37 -0.11 0.00 0.00 0.00 0.00 30.24 28.33 1h3n n GLN 427 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1h3n s ARG 428 N -1.86 1.08 -0.11 -1.09 1.81 -1.26 -4.23 118.95 113.29 1h3n s ARG 428 Ca 0.55 -1.30 -0.25 0.00 -1.72 0.00 0.00 55.73 53.00 1h3n s ARG 428 Cb 0.29 -0.94 -0.27 0.00 -0.45 0.00 0.00 34.95 33.58 1h3n s ARG 428 CO -0.18 0.17 0.77 -0.92 -0.68 0.00 0.00 175.30 174.46 1h3n h TYR 429 N 3.34 0.21 -0.77 -0.53 3.20 -1.91 -3.39 116.97 117.12 1h3n h TYR 429 Ca -0.40 -0.15 -0.54 0.00 3.14 0.00 0.00 58.73 60.78 1h3n h TYR 429 Cb 1.20 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 39.39 1h3n h TYR 429 CO 0.66 1.16 1.68 -0.46 -1.64 0.00 0.00 178.16 179.57 1h3n s TRP 430 N -2.31 2.44 0.01 -3.82 -0.00 -1.26 -4.83 118.94 109.17 1h3n s TRP 430 Ca -0.18 -0.77 -0.29 0.00 -0.00 0.00 0.00 56.10 54.87 1h3n s TRP 430 Cb -0.01 -4.49 0.11 0.00 -0.00 0.00 0.00 33.47 29.08 1h3n s TRP 430 CO 0.74 -1.65 1.25 0.20 -0.00 0.00 0.00 176.95 177.48 1h3n s GLY 431 N 5.25 -0.31 -0.03 5.86 0.00 -1.26 -1.67 107.32 115.15 1h3n s GLY 431 Ca 0.58 0.46 -0.30 0.00 0.00 0.00 0.00 44.72 45.46 1h3n s GLY 431 CO 0.06 1.31 1.30 -1.59 0.00 0.00 0.00 173.10 174.18 1h3n s THR 432 N -2.40 3.98 0.30 0.90 2.01 -1.26 -4.75 115.64 114.43 1h3n s THR 432 Ca 0.17 1.34 -0.29 0.00 0.31 0.00 0.00 61.69 63.22 1h3n s THR 432 Cb 0.03 -3.86 -0.10 0.00 0.01 0.00 0.00 72.50 68.58 1h3n s THR 432 CO -0.02 0.00 1.26 -2.84 -0.69 0.00 0.00 174.62 172.33 1h3n s PRO 433 N 2.28 4.42 -0.17 4.92 0.02 -1.26 0.52 135.00 145.73 1h3n s PRO 433 Ca 0.60 2.10 -0.29 0.00 0.02 0.00 0.00 61.00 63.43 1h3n s PRO 433 Cb -0.28 -3.11 -0.01 0.00 0.02 0.00 0.00 34.50 31.11 1h3n s PRO 433 CO 0.24 -0.10 1.25 0.42 -0.33 0.00 0.00 177.00 178.48 1h3n s ILE 434 N -0.99 4.30 -0.20 2.83 1.01 -1.17 -4.85 121.20 122.13 1h3n s ILE 434 Ca 0.49 1.58 -0.04 0.00 0.00 0.00 0.00 60.65 62.68 1h3n s ILE 434 Cb -0.38 -4.02 -0.13 0.00 0.01 0.00 0.00 42.46 37.95 1h3n s ILE 434 CO 0.48 -0.14 2.20 -0.81 0.00 0.00 0.00 174.94 176.68 1h3n n PRO 435 N 6.56 1.31 -4.22 2.79 -0.04 -1.26 -4.45 135.00 135.70 1h3n n PRO 435 Ca 0.14 -0.75 -0.17 0.00 -0.04 0.00 0.00 63.50 62.68 1h3n n PRO 435 Cb 0.45 -1.92 -0.11 0.00 -0.04 0.00 0.00 33.50 31.88 1h3n n PRO 435 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 1h3n s MET 436 N 2.23 0.97 0.04 0.54 -1.94 -1.26 -1.33 119.30 118.55 1h3n s MET 436 Ca 0.37 -1.22 0.06 0.00 -1.71 0.00 0.00 55.69 53.19 1h3n s MET 436 Cb 0.16 -0.78 -0.02 0.00 2.01 0.00 0.00 34.83 36.20 1h3n s MET 436 CO -0.01 0.14 -0.17 0.08 -0.01 0.00 0.00 175.02 175.05 1h3n s VAL 437 N -2.27 1.36 -0.36 -6.03 1.01 0.20 -1.49 120.40 112.83 1h3n s VAL 437 Ca 0.08 -1.06 -0.08 0.00 0.00 0.00 0.00 61.98 60.92 1h3n s VAL 437 Cb -0.04 -1.20 0.04 0.00 0.00 0.00 0.00 36.38 35.18 1h3n s VAL 437 CO 0.02 0.12 0.15 -1.00 0.00 0.00 0.00 175.10 174.39 1h3n s HIS 438 N -0.79 3.26 -0.12 5.22 3.76 0.14 -0.09 115.29 126.66 1h3n s HIS 438 Ca 0.04 -1.28 -0.05 0.00 -0.15 0.00 0.00 55.06 53.62 1h3n s HIS 438 Cb -0.08 -2.38 -0.04 0.00 1.11 0.00 0.00 32.58 31.19 1h3n s HIS 438 CO 0.01 -0.71 0.08 0.00 -0.85 0.00 0.00 174.74 173.27 1h3n h GLU 440 N 5.42 0.00 0.00 0.00 4.81 -1.84 -0.60 114.58 122.37 1h3n h GLU 440 Ca -0.50 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.36 1h3n h GLU 440 Cb 1.20 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.52 1h3n h GLU 440 CO 0.60 0.13 -2.30 0.00 -0.73 0.00 0.00 179.01 176.70 1h3n n ALA 441 N -2.24 1.49 0.09 2.92 0.00 -1.26 -4.68 120.51 116.83 1h3n n ALA 441 Ca -0.01 -0.95 0.01 0.00 0.00 0.00 0.00 53.44 52.48 1h3n n ALA 441 Cb 0.29 0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.80 1h3n n ALA 441 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h3n n GLY 443 N 1.30 0.76 3.64 0.00 0.00 -0.23 -4.86 105.19 105.80 1h3n n GLY 443 Ca -0.03 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 1h3n n GLY 443 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h3n s VAL 444 N 0.00 4.72 -0.05 1.61 1.01 -1.26 -0.39 120.40 126.04 1h3n s VAL 444 Ca 0.00 1.61 0.06 0.00 0.00 0.00 0.00 61.98 63.65 1h3n s VAL 444 Cb 0.00 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1h3n s VAL 444 CO 0.00 -0.23 -0.24 -0.69 0.00 0.00 0.00 175.10 173.94 1h3n s VAL 445 N 3.13 1.99 0.37 2.92 1.01 0.87 -4.97 120.40 125.71 1h3n s VAL 445 Ca 0.39 -1.04 -0.24 0.00 0.00 0.00 0.00 61.98 61.08 1h3n s VAL 445 Cb -0.14 -1.67 -0.10 0.00 0.00 0.00 0.00 36.38 34.46 1h3n s VAL 445 CO 0.10 0.56 0.97 -2.16 0.00 0.00 0.00 175.10 174.57 1h3n s PRO 446 N -0.26 4.39 0.16 2.72 0.04 -1.26 0.63 135.00 141.42 1h3n s PRO 446 Ca -0.00 1.33 -0.30 0.00 0.04 0.00 0.00 61.00 62.07 1h3n s PRO 446 Cb -0.13 -2.58 -0.07 0.00 0.04 0.00 0.00 34.50 31.76 1h3n s PRO 446 CO 0.02 0.09 1.12 0.08 0.04 0.00 0.00 177.00 178.36 1h3n s VAL 447 N -1.76 3.87 0.40 -0.36 1.01 -0.44 -4.84 120.40 118.28 1h3n s VAL 447 Ca 0.55 1.57 -0.26 0.00 0.00 0.00 0.00 61.98 63.84 1h3n s VAL 447 Cb -0.17 -4.00 -0.10 0.00 0.00 0.00 0.00 36.38 32.10 1h3n s VAL 447 CO 0.22 0.25 1.32 -2.65 0.00 0.00 0.00 175.10 174.24 1h3n n PRO 448 N 2.55 2.10 -0.30 2.72 -0.02 -1.26 -4.89 135.00 135.90 1h3n n PRO 448 Ca 0.03 0.74 0.04 0.00 -2.02 0.00 0.00 63.50 62.29 1h3n n PRO 448 Cb 0.46 -2.43 0.18 0.00 -0.02 0.00 0.00 33.50 31.69 1h3n n PRO 448 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1h3n h GLU 449 N 2.32 0.79 0.00 -0.52 4.81 -1.99 -1.48 114.58 118.51 1h3n h GLU 449 Ca -0.48 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1h3n h GLU 449 Cb 1.28 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1h3n h GLU 449 CO 0.61 0.52 0.00 1.05 -0.73 0.00 0.00 179.01 180.46 1h3n h GLU 450 N 0.82 0.00 -0.00 1.92 9.09 -2.04 -2.51 114.58 121.85 1h3n h GLU 450 Ca 0.41 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.82 1h3n h GLU 450 Cb 0.39 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.49 1h3n h GLU 450 CO -0.25 0.00 -0.43 0.39 0.05 0.00 0.00 179.01 178.76 1h3n n GLU 451 N -2.33 0.40 -2.12 1.06 1.02 -0.56 -4.92 120.64 113.18 1h3n n GLU 451 Ca 0.00 -0.25 -0.35 0.00 -0.02 0.00 0.00 57.16 56.54 1h3n n GLU 451 Cb 0.13 -1.49 0.02 0.00 -0.02 0.00 0.00 31.44 30.08 1h3n n GLU 451 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1h3n s LEU 452 N -2.77 3.68 0.45 -4.62 1.43 -0.95 -4.44 118.68 111.46 1h3n s LEU 452 Ca 0.17 2.23 -0.11 0.00 -1.03 0.00 0.00 54.13 55.39 1h3n s LEU 452 Cb 0.18 -4.58 -0.06 0.00 0.03 0.00 0.00 46.19 41.76 1h3n s LEU 452 CO 0.63 -1.40 0.82 -2.16 0.23 0.00 0.00 176.35 174.48 1h3n s PRO 453 N -3.39 3.75 -0.69 1.29 0.04 -1.26 -5.10 135.00 129.65 1h3n s PRO 453 Ca 0.74 0.52 -0.20 0.00 0.04 0.00 0.00 61.00 62.10 1h3n s PRO 453 Cb -0.26 -2.33 0.11 0.00 0.04 0.00 0.00 34.50 32.06 1h3n s PRO 453 CO 0.30 -0.14 0.86 0.08 0.04 0.00 0.00 177.00 178.15 1h3n s VAL 454 N -2.53 4.70 0.51 -0.36 1.01 -1.26 -5.01 120.40 117.46 1h3n s VAL 454 Ca 0.52 -1.00 -0.23 0.00 0.00 0.00 0.00 61.98 61.27 1h3n s VAL 454 Cb -0.10 -4.60 -0.06 0.00 0.00 0.00 0.00 36.38 31.62 1h3n s VAL 454 CO 0.35 -1.29 1.33 -0.76 0.00 0.00 0.00 175.10 174.73 1h3n s LEU 455 N 2.95 3.95 0.20 3.92 1.43 -1.26 -4.59 118.68 125.28 1h3n s LEU 455 Ca 0.19 2.70 -0.30 0.00 -1.03 0.00 0.00 54.13 55.69 1h3n s LEU 455 Cb -0.18 -4.19 -0.08 0.00 0.03 0.00 0.00 46.19 41.78 1h3n s LEU 455 CO 0.04 -1.34 1.06 -0.76 0.23 0.00 0.00 176.35 175.57 1h3n s LEU 456 N -3.23 4.53 0.36 1.79 1.43 -1.26 -4.98 118.68 117.32 1h3n s LEU 456 Ca 0.67 2.08 -0.28 0.00 -1.03 0.00 0.00 54.13 55.57 1h3n s LEU 456 Cb -0.39 -3.61 -0.11 0.00 0.03 0.00 0.00 46.19 42.11 1h3n s LEU 456 CO 0.47 -0.12 1.48 -2.84 0.23 0.00 0.00 176.35 175.56 1h3n s PRO 457 N -0.71 4.14 -1.10 1.29 0.02 -1.26 -4.89 135.00 132.50 1h3n s PRO 457 Ca 0.47 2.53 -0.19 0.00 0.02 0.00 0.00 61.00 63.83 1h3n s PRO 457 Cb -0.29 -2.98 0.09 0.00 0.02 0.00 0.00 34.50 31.34 1h3n s PRO 457 CO 0.35 -0.51 1.45 0.34 -0.33 0.00 0.00 177.00 178.30 1h3n s ASP 458 N -0.12 6.69 -0.17 2.53 -1.08 -1.26 -4.96 116.67 118.31 1h3n s ASP 458 Ca 0.53 -2.05 -0.24 0.00 -0.52 0.00 0.00 52.55 50.28 1h3n s ASP 458 Cb -0.46 -2.51 -0.02 0.00 -1.46 0.00 0.00 42.92 38.47 1h3n s ASP 458 CO 0.61 -1.22 0.75 -0.76 0.52 0.00 0.00 175.17 175.07 1h3n s LEU 459 N 3.80 4.18 -0.06 -1.34 1.02 -1.26 -4.94 118.68 120.08 1h3n s LEU 459 Ca 0.45 1.06 0.21 0.00 0.02 0.00 0.00 54.13 55.86 1h3n s LEU 459 Cb -0.00 -3.10 -0.31 0.00 0.02 0.00 0.00 46.19 42.79 1h3n s LEU 459 CO -0.04 -0.33 0.40 0.29 0.02 0.00 0.00 176.35 176.69 1h3n n LYS 460 N 5.02 0.67 -2.46 1.70 5.02 -1.26 -4.90 118.16 121.95 1h3n n LYS 460 Ca 0.02 -0.16 -0.43 0.00 -2.02 0.00 0.00 58.31 55.72 1h3n n LYS 460 Cb 0.49 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.98 1h3n n LYS 460 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1h3n s ASP 461 N -4.59 6.63 0.26 4.39 3.68 -1.26 -4.90 116.67 120.88 1h3n s ASP 461 Ca -0.08 0.99 -0.05 0.00 2.13 0.00 0.00 52.55 55.55 1h3n s ASP 461 Cb 0.12 -2.54 0.31 0.00 -1.45 0.00 0.00 42.92 39.36 1h3n s ASP 461 CO 0.86 -1.15 1.92 0.58 0.13 0.00 0.00 175.17 177.51 1h3n h VAL 462 N 6.08 1.24 0.00 1.11 2.07 -1.95 -0.75 116.25 124.05 1h3n h VAL 462 Ca -0.25 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 66.75 1h3n h VAL 462 Cb 1.09 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1h3n h VAL 462 CO 1.06 0.25 -0.12 -0.08 0.02 0.00 0.00 177.57 178.70 1h3n h GLU 463 N 1.25 0.00 -0.04 1.57 4.81 -1.96 -2.48 114.58 117.73 1h3n h GLU 463 Ca 0.33 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.44 1h3n h GLU 463 Cb -0.09 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.30 1h3n h GLU 463 CO -0.07 0.12 -0.44 0.22 -0.73 0.00 0.00 179.01 178.12 1h3n h ASP 464 N 0.00 0.46 1.46 1.04 -0.00 -1.54 -3.28 116.42 114.56 1h3n h ASP 464 Ca -0.00 -0.70 0.00 0.00 -0.00 0.00 0.00 57.03 56.33 1h3n h ASP 464 Cb 0.37 -0.14 0.00 0.00 -0.00 0.00 0.00 39.33 39.56 1h3n h ASP 464 CO 0.02 1.09 0.00 0.16 -0.00 0.00 0.00 179.24 180.51 1h3n h ILE 465 N -0.14 0.00 -2.33 2.25 3.07 -1.24 -3.46 117.51 115.67 1h3n h ILE 465 Ca -0.04 -0.58 -0.57 0.00 1.55 0.00 0.00 64.86 65.21 1h3n h ILE 465 Cb 1.12 1.54 0.05 0.00 -0.27 0.00 0.00 36.82 39.27 1h3n h ILE 465 CO 0.09 0.00 0.88 -1.14 -1.05 0.00 0.00 178.15 176.93 1h3n n ARG 466 N -2.57 2.30 -2.34 0.16 0.63 -0.95 -4.56 116.66 109.33 1h3n n ARG 466 Ca 0.04 0.83 -0.42 0.00 -0.92 0.00 0.00 57.85 57.38 1h3n n ARG 466 Cb 0.41 -2.63 -0.03 0.00 0.45 0.00 0.00 32.46 30.67 1h3n n ARG 466 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1h3n s PRO 467 N 1.37 4.30 0.00 -0.14 0.04 -1.26 -4.89 135.00 134.41 1h3n s PRO 467 Ca 0.80 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.65 1h3n s PRO 467 Cb -0.64 -3.61 0.01 0.00 0.04 0.00 0.00 34.50 30.30 1h3n s PRO 467 CO 0.38 -0.55 0.80 1.63 0.04 0.00 0.00 177.00 179.30 1h3n n LYS 468 N 5.53 1.31 0.00 4.56 4.01 -1.26 -4.85 118.16 127.46 1h3n n LYS 468 Ca 0.12 -1.10 0.00 0.00 -0.51 0.00 0.00 58.31 56.83 1h3n n LYS 468 Cb 0.45 -1.01 0.00 0.00 -0.51 0.00 0.00 35.03 33.96 1h3n n LYS 468 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1h3n n GLY 469 N -0.25 3.71 3.93 0.72 0.00 -1.26 -5.11 105.19 106.93 1h3n n GLY 469 Ca 0.00 -0.59 -0.20 0.00 0.00 0.00 0.00 46.02 45.24 1h3n n GLY 469 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h3n s LYS 470 N 0.00 2.83 0.19 1.61 1.02 -1.26 -4.85 119.74 119.27 1h3n s LYS 470 Ca 0.00 -1.25 -0.31 0.00 0.02 0.00 0.00 55.97 54.44 1h3n s LYS 470 Cb 0.00 -2.61 -0.09 0.00 -0.52 0.00 0.00 37.83 34.60 1h3n s LYS 470 CO 0.00 -0.04 1.42 0.45 -0.92 0.00 0.00 175.35 176.26 1h3n s SER 471 N -4.14 6.74 0.57 2.83 0.15 -1.26 -4.84 113.70 113.75 1h3n s SER 471 Ca 0.46 2.51 0.28 0.00 0.70 0.00 0.00 55.95 59.89 1h3n s SER 471 Cb -0.07 -2.61 1.50 0.00 -1.71 0.00 0.00 66.02 63.13 1h3n s SER 471 CO 0.29 -0.67 1.99 -0.65 1.20 0.00 0.00 173.24 175.40 1h3n h PRO 472 N 5.89 0.00 0.00 5.44 0.11 -1.86 0.19 132.00 141.78 1h3n h PRO 472 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1h3n h PRO 472 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1h3n h PRO 472 CO 0.82 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.89 1h3n n LEU 473 N -3.99 0.05 0.00 2.35 4.77 -1.26 -2.21 117.00 116.71 1h3n n LEU 473 Ca 0.07 0.51 0.12 0.00 -0.03 0.00 0.00 56.01 56.69 1h3n n LEU 473 Cb 0.55 -0.51 0.64 0.00 -2.33 0.00 0.00 43.42 41.77 1h3n n LEU 473 CO 0.31 -0.30 0.92 -0.62 -1.33 0.00 0.00 177.39 176.37 1h3n n GLU 474 N -1.56 0.37 -0.58 3.23 -0.58 0.68 -2.79 120.64 119.41 1h3n n GLU 474 Ca 0.03 0.05 0.03 0.00 -0.42 0.00 0.00 57.16 56.85 1h3n n GLU 474 Cb 0.16 -1.50 0.23 0.00 -0.57 0.00 0.00 31.44 29.76 1h3n n GLU 474 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1h3n n ALA 475 N -1.27 3.51 -3.47 0.62 0.00 -0.94 -4.81 120.51 114.15 1h3n n ALA 475 Ca 0.12 -2.63 -0.27 0.00 0.00 0.00 0.00 53.44 50.66 1h3n n ALA 475 Cb 0.19 -0.74 -0.10 0.00 0.00 0.00 0.00 19.45 18.80 1h3n n ALA 475 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1h3n n HIS 476 N -0.77 -0.20 0.19 0.00 8.25 -1.12 -4.96 115.22 116.61 1h3n n HIS 476 Ca 0.27 -3.48 0.17 0.00 -0.26 0.00 0.00 57.72 54.41 1h3n n HIS 476 Cb 0.96 0.10 0.81 0.00 1.12 0.00 0.00 29.99 32.98 1h3n n HIS 476 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1h3n h PRO 477 N 5.53 0.00 0.00 -0.41 0.11 -1.87 0.23 132.00 135.59 1h3n h PRO 477 Ca 0.24 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.35 1h3n h PRO 477 Cb 0.88 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 1h3n h PRO 477 CO 0.43 0.00 -0.02 1.05 -0.21 0.00 0.00 178.00 179.25 1h3n h GLU 478 N 0.00 0.00 0.00 1.05 9.09 -1.92 -1.75 114.58 121.04 1h3n h GLU 478 Ca 0.10 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.51 1h3n h GLU 478 Cb 0.52 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.62 1h3n h GLU 478 CO -0.00 0.02 -0.59 0.34 0.05 0.00 0.00 179.01 178.83 1h3n n PHE 479 N -3.20 0.53 0.09 2.06 7.35 0.79 -4.70 117.46 120.37 1h3n n PHE 479 Ca -0.02 0.23 -0.05 0.00 -0.76 0.00 0.00 57.45 56.85 1h3n n PHE 479 Cb 0.17 -0.61 0.12 0.00 0.35 0.00 0.00 39.48 39.51 1h3n n PHE 479 CO 0.00 0.00 0.00 0.10 -0.76 0.00 0.00 176.76 176.10 1h3n h TYR 480 N -0.87 0.28 -2.21 -5.13 -0.00 -1.57 -3.44 116.97 104.04 1h3n h TYR 480 Ca 0.00 -0.11 -0.57 0.00 0.00 0.00 0.00 58.73 58.05 1h3n h TYR 480 Cb 0.59 -0.05 0.00 0.00 0.00 0.00 0.00 36.73 37.27 1h3n h TYR 480 CO -0.25 0.77 1.37 -1.21 -0.00 0.00 0.00 178.16 178.84 1h3n s GLU 481 N -3.73 3.50 0.00 0.10 2.02 -0.66 -0.92 118.70 119.00 1h3n s GLU 481 Ca -0.04 2.14 0.00 0.00 0.02 0.00 0.00 54.97 57.09 1h3n s GLU 481 Cb 0.12 -4.27 0.00 0.00 0.10 0.00 0.00 34.13 30.08 1h3n s GLU 481 CO 0.79 -1.68 0.00 -2.37 0.02 0.00 0.00 175.26 172.02 1h3n n THR 482 N 6.96 0.00 -4.28 3.63 5.66 -0.63 -4.92 114.28 120.70 1h3n n THR 482 Ca 0.26 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.96 1h3n n THR 482 Cb 0.44 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.11 1h3n n THR 482 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1h3n s THR 483 N -2.52 3.00 0.00 1.09 -4.23 -1.26 -0.11 115.64 111.62 1h3n s THR 483 Ca 0.00 -1.44 -0.30 0.00 -1.18 0.00 0.00 61.69 58.77 1h3n s THR 483 Cb 0.00 -2.39 -0.05 0.00 1.34 0.00 0.00 72.50 71.40 1h3n s THR 483 CO 0.00 0.10 1.29 0.00 -0.54 0.00 0.00 174.62 175.47 1h3n n PRO 485 N 4.90 0.06 -0.07 0.00 -0.04 -1.26 -0.90 135.00 137.69 1h3n n PRO 485 Ca 0.11 0.30 -0.06 0.00 -0.04 0.00 0.00 63.50 63.81 1h3n n PRO 485 Cb 0.45 -1.61 -0.02 0.00 -0.04 0.00 0.00 33.50 32.28 1h3n n PRO 485 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1h3n n LYS 486 N -1.72 0.45 -0.04 0.54 4.81 -1.26 -4.73 118.16 116.20 1h3n n LYS 486 Ca 0.03 0.42 -0.10 0.00 -0.87 0.00 0.00 58.31 57.79 1h3n n LYS 486 Cb 0.19 -1.56 -0.15 0.00 0.02 0.00 0.00 35.03 33.53 1h3n n LYS 486 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1h3n n GLY 488 N 1.64 0.31 1.82 0.00 0.00 -0.08 -5.01 105.19 103.87 1h3n n GLY 488 Ca -0.23 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 1h3n n GLY 488 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h3n n GLY 489 N -1.97 -1.30 3.74 -0.02 0.00 -1.26 -4.45 105.19 99.93 1h3n n GLY 489 Ca 0.00 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.92 1h3n n GLY 489 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h3n s PRO 490 N -4.37 4.42 0.26 1.61 0.04 -1.26 -0.15 135.00 135.55 1h3n s PRO 490 Ca 0.36 2.01 -0.01 0.00 0.04 0.00 0.00 61.00 63.40 1h3n s PRO 490 Cb -0.01 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 31.30 1h3n s PRO 490 CO 0.25 -0.19 0.25 0.00 0.04 0.00 0.00 177.00 177.35 1h3n s ALA 491 N -0.06 1.12 -0.12 8.56 0.00 0.85 -4.52 121.76 127.59 1h3n s ALA 491 Ca 0.55 -1.67 0.02 0.00 0.00 0.00 0.00 51.96 50.85 1h3n s ALA 491 Cb -0.35 1.35 0.01 0.00 0.00 0.00 0.00 23.12 24.13 1h3n s ALA 491 CO 0.39 -0.67 -0.17 0.21 0.00 0.00 0.00 175.76 175.53 1h3n s LYS 492 N -3.83 2.39 0.60 0.00 2.20 -0.33 -1.60 119.74 119.17 1h3n s LYS 492 Ca 0.36 -0.62 -0.18 0.00 -0.36 0.00 0.00 55.97 55.17 1h3n s LYS 492 Cb 0.04 -2.00 -0.03 0.00 -1.51 0.00 0.00 37.83 34.33 1h3n s LYS 492 CO 0.17 -0.05 1.21 1.03 -0.36 0.00 0.00 175.35 177.34 1h3n s ARG 493 N 0.96 2.91 0.39 4.03 0.52 -0.10 0.23 118.95 127.89 1h3n s ARG 493 Ca -0.07 1.82 -0.27 0.00 -0.52 0.00 0.00 55.73 56.70 1h3n s ARG 493 Cb -0.15 -1.92 -0.10 0.00 0.52 0.00 0.00 34.95 33.30 1h3n s ARG 493 CO -0.02 -1.25 1.39 0.34 0.02 0.00 0.00 175.30 175.78 1h3n s ASP 494 N -1.63 6.34 0.00 0.23 2.15 -0.56 -4.80 116.67 118.41 1h3n s ASP 494 Ca 0.77 2.84 0.17 0.00 0.43 0.00 0.00 52.55 56.77 1h3n s ASP 494 Cb -0.30 -2.65 0.20 0.00 -0.30 0.00 0.00 42.92 39.87 1h3n s ASP 494 CO 0.34 -0.85 1.12 0.35 -0.17 0.00 0.00 175.17 175.96 1h3n n THR 495 N 0.33 0.19 -3.31 1.71 -2.24 -1.26 -4.69 114.28 105.01 1h3n n THR 495 Ca 0.02 -0.60 -0.25 0.00 -2.27 0.00 0.00 64.05 60.96 1h3n n THR 495 Cb 0.41 1.20 -0.01 0.00 -2.10 0.00 0.00 70.33 69.83 1h3n n THR 495 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1h3n s ASP 496 N -1.37 6.31 0.35 3.42 1.01 -1.26 -4.57 116.67 120.56 1h3n s ASP 496 Ca 0.24 0.53 0.09 0.00 0.71 0.00 0.00 52.55 54.11 1h3n s ASP 496 Cb 0.15 -2.07 -0.06 0.00 1.01 0.00 0.00 42.92 41.96 1h3n s ASP 496 CO 0.22 -0.30 0.01 0.42 0.21 0.00 0.00 175.17 175.73 1h3n s THR 497 N -2.32 2.47 0.19 -1.27 -4.23 -0.35 -3.03 115.64 107.10 1h3n s THR 497 Ca 0.41 -1.99 -0.28 0.00 -1.18 0.00 0.00 61.69 58.65 1h3n s THR 497 Cb -0.10 -2.80 -0.08 0.00 1.34 0.00 0.00 72.50 70.86 1h3n s THR 497 CO 0.36 -0.17 0.87 -0.04 -0.54 0.00 0.00 174.62 175.10 1h3n s MET 498 N -3.71 4.71 0.79 3.99 -1.94 0.18 -0.10 119.30 123.22 1h3n s MET 498 Ca 0.35 1.33 -0.13 0.00 -1.71 0.00 0.00 55.69 55.52 1h3n s MET 498 Cb 0.02 -3.29 0.07 0.00 2.01 0.00 0.00 34.83 33.64 1h3n s MET 498 CO 0.19 0.50 1.20 0.34 -0.01 0.00 0.00 175.02 177.23 1h3n s ASP 499 N -0.99 3.76 0.51 3.03 -1.08 -0.38 -3.99 116.67 117.54 1h3n s ASP 499 Ca 0.39 2.32 0.18 0.00 -0.52 0.00 0.00 52.55 54.93 1h3n s ASP 499 Cb -0.24 -2.58 1.27 0.00 -1.46 0.00 0.00 42.92 39.90 1h3n s ASP 499 CO 0.29 -2.55 2.09 0.00 0.52 0.00 0.00 175.17 175.51 1h3n h THR 500 N -0.81 0.92 0.00 1.71 1.03 -1.92 -2.03 112.91 111.81 1h3n h THR 500 Ca -0.46 -0.02 0.00 0.00 -0.01 0.00 0.00 66.41 65.92 1h3n h THR 500 Cb 1.29 0.85 0.00 0.00 -1.07 0.00 0.00 68.15 69.22 1h3n h THR 500 CO 0.47 0.01 0.00 0.49 -0.01 0.00 0.00 175.52 176.48 1h3n n PHE 501 N -4.48 0.15 -0.03 0.00 3.72 -1.26 -2.15 117.46 113.41 1h3n n PHE 501 Ca 0.02 0.06 -0.13 0.00 -0.05 0.00 0.00 57.45 57.35 1h3n n PHE 501 Cb 0.26 -0.60 -0.10 0.00 -0.94 0.00 0.00 39.48 38.10 1h3n n PHE 501 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 1h3n h PHE 502 N 0.00 0.05 -0.65 1.38 3.04 -1.71 -2.75 116.94 116.30 1h3n h PHE 502 Ca 0.00 -0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.00 1h3n h PHE 502 Cb 0.22 -0.01 -0.06 0.00 2.56 0.00 0.00 35.95 38.67 1h3n h PHE 502 CO 0.00 0.63 0.34 -0.44 -2.02 0.00 0.00 178.31 176.81 1h3n h ASP 503 N -0.54 0.47 0.47 0.41 3.45 -1.59 -2.38 116.42 116.71 1h3n h ASP 503 Ca -0.00 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.50 1h3n h ASP 503 Cb 0.63 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.35 1h3n h ASP 503 CO 0.01 0.30 0.00 -1.54 -1.57 0.00 0.00 179.24 176.44 1h3n n SER 504 N -4.84 0.00 0.00 6.45 3.41 -1.12 -3.35 113.62 114.17 1h3n n SER 504 Ca 0.08 -0.30 0.13 0.00 -0.26 0.00 0.00 58.87 58.53 1h3n n SER 504 Cb 0.20 -0.23 0.65 0.00 -0.26 0.00 0.00 64.21 64.56 1h3n n SER 504 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1h3n n SER 505 N -1.23 0.00 0.00 4.04 7.64 -0.89 -4.00 113.62 119.17 1h3n n SER 505 Ca 0.16 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.19 1h3n n SER 505 Cb 0.22 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 1h3n n SER 505 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1h3n n TRP 506 N -1.38 0.00 -0.28 1.43 4.27 -1.24 -4.50 117.44 115.74 1h3n n TRP 506 Ca 0.10 0.00 0.09 0.00 -3.89 0.00 0.00 57.50 53.80 1h3n n TRP 506 Cb 0.26 0.05 0.32 0.00 -1.36 0.00 0.00 31.31 30.58 1h3n n TRP 506 CO 0.00 0.00 0.00 0.10 -2.29 0.00 0.00 177.69 175.50 1h3n h TYR 507 N 0.00 0.92 -0.01 -2.67 -0.00 -1.69 0.03 116.97 113.55 1h3n h TYR 507 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.76 1h3n h TYR 507 Cb 0.96 -0.29 -0.00 0.00 -0.00 0.00 0.00 36.73 37.39 1h3n h TYR 507 CO 0.00 0.39 0.02 0.10 -0.00 0.00 0.00 178.16 178.67 1h3n h TYR 508 N 0.82 0.00 0.13 0.10 -0.00 -1.91 -0.60 116.97 115.51 1h3n h TYR 508 Ca 0.43 0.00 -0.30 0.00 0.00 0.00 0.00 58.73 58.87 1h3n h TYR 508 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.26 1h3n h TYR 508 CO -0.00 0.00 -1.42 -0.07 -0.00 0.00 0.00 178.16 176.66 1h3n h LEU 509 N 0.00 0.44 -1.36 0.10 3.38 -1.38 -3.29 115.31 113.20 1h3n h LEU 509 Ca 0.00 -0.54 -0.03 0.00 0.09 0.00 0.00 57.88 57.40 1h3n h LEU 509 Cb 0.04 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1h3n h LEU 509 CO -0.00 1.44 0.08 -0.09 0.09 0.00 0.00 178.44 179.96 1h3n h ARG 510 N 0.08 0.52 -0.16 1.13 9.65 -0.94 -1.80 114.38 122.85 1h3n h ARG 510 Ca -0.20 -0.08 0.05 0.00 -1.10 0.00 0.00 59.98 58.64 1h3n h ARG 510 Cb 2.01 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 30.50 1h3n h ARG 510 CO 0.19 0.48 0.17 1.88 2.80 0.00 0.00 179.97 185.49 1h3n h TYR 511 N 0.51 0.00 0.00 2.20 0.05 -1.48 0.19 116.97 118.45 1h3n h TYR 511 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.90 1h3n h TYR 511 Cb 0.20 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.94 1h3n h TYR 511 CO 0.01 0.00 0.00 0.25 -1.05 0.00 0.00 178.16 177.37 1h3n n THR 512 N -3.88 0.42 -2.72 -2.88 -2.24 -0.67 -4.28 114.28 98.03 1h3n n THR 512 Ca 0.01 -0.05 -0.07 0.00 -2.27 0.00 0.00 64.05 61.67 1h3n n THR 512 Cb 0.29 -0.66 0.08 0.00 -2.10 0.00 0.00 70.33 67.94 1h3n n THR 512 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1h3n n ASP 513 N -1.86 -2.18 0.21 3.42 2.03 0.05 -4.63 116.55 113.59 1h3n n ASP 513 Ca 0.06 -3.07 0.14 0.00 0.52 0.00 0.00 54.79 52.43 1h3n n ASP 513 Cb 0.34 1.64 0.73 0.00 -0.72 0.00 0.00 41.12 43.12 1h3n n ASP 513 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1h3n h PRO 514 N 3.12 0.00 -0.12 -0.67 0.13 -0.91 -3.08 132.00 130.48 1h3n h PRO 514 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1h3n h PRO 514 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1h3n h PRO 514 CO 0.12 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.61 1h3n n HIS 515 N -2.45 0.15 -1.90 1.56 8.25 -1.26 -5.01 115.22 114.56 1h3n n HIS 515 Ca -0.02 -0.32 -0.42 0.00 -0.26 0.00 0.00 57.72 56.70 1h3n n HIS 515 Cb 0.05 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.11 1h3n n HIS 515 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1h3n s ASN 516 N -0.81 6.59 -0.18 0.41 3.84 -1.16 -4.88 114.94 118.74 1h3n s ASN 516 Ca 0.10 2.48 0.16 0.00 0.21 0.00 0.00 52.86 55.82 1h3n s ASN 516 Cb 0.06 -2.56 0.55 0.00 -0.55 0.00 0.00 41.25 38.76 1h3n s ASN 516 CO 0.08 -0.91 1.45 -0.90 -2.79 0.00 0.00 177.10 174.02 1h3n n ASP 517 N 6.01 4.04 0.00 -4.21 5.75 -1.26 -4.48 116.55 122.39 1h3n n ASP 517 Ca 0.17 -3.00 0.00 0.00 -0.01 0.00 0.00 54.79 51.94 1h3n n ASP 517 Cb 0.41 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 1h3n n ASP 517 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1h3n n ARG 518 N -0.40 2.20 -3.92 0.11 1.74 -1.26 -5.08 116.66 110.05 1h3n n ARG 518 Ca 0.22 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.21 1h3n n ARG 518 Cb 0.92 -0.88 -0.08 0.00 -1.02 0.00 0.00 32.46 31.39 1h3n n ARG 518 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1h3n s LEU 519 N -2.77 1.71 0.55 0.55 1.43 -1.26 -5.01 118.68 113.88 1h3n s LEU 519 Ca 0.00 -0.65 0.25 0.00 -1.03 0.00 0.00 54.13 52.70 1h3n s LEU 519 Cb 0.00 0.77 1.47 0.00 0.03 0.00 0.00 46.19 48.46 1h3n s LEU 519 CO 0.00 -0.63 2.06 -0.65 0.23 0.00 0.00 176.35 177.36 1h3n h PRO 520 N 3.14 0.00 -1.16 1.29 0.11 -1.92 -3.44 132.00 130.01 1h3n h PRO 520 Ca -0.33 0.00 0.27 0.00 0.11 0.00 0.00 66.00 66.05 1h3n h PRO 520 Cb 1.18 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.07 1h3n h PRO 520 CO 0.56 0.00 0.92 -0.59 -0.21 0.00 0.00 178.00 178.67 1h3n s PHE 521 N -4.87 -0.06 -0.19 0.65 -0.12 -1.26 -4.66 117.98 107.47 1h3n s PHE 521 Ca -0.05 0.07 -0.23 0.00 -0.05 0.00 0.00 56.93 56.67 1h3n s PHE 521 Cb 0.17 0.50 -0.02 0.00 -0.63 0.00 0.00 43.02 43.04 1h3n s PHE 521 CO 0.64 -0.08 0.73 0.34 -0.05 0.00 0.00 175.22 176.81 1h3n s ASP 522 N -1.67 6.81 0.32 1.98 3.68 -1.26 -4.95 116.67 121.58 1h3n s ASP 522 Ca 0.10 1.00 0.09 0.00 2.13 0.00 0.00 52.55 55.86 1h3n s ASP 522 Cb -0.01 -2.40 0.87 0.00 -1.45 0.00 0.00 42.92 39.93 1h3n s ASP 522 CO -0.05 -0.34 1.73 -0.65 0.13 0.00 0.00 175.17 175.99 1h3n h PRO 523 N 7.43 0.55 -0.57 4.34 0.11 -1.96 -0.71 132.00 141.19 1h3n h PRO 523 Ca -0.30 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1h3n h PRO 523 Cb 1.13 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.09 1h3n h PRO 523 CO 0.81 0.37 0.36 1.49 -0.21 0.00 0.00 178.00 180.81 1h3n h GLU 524 N 0.57 0.76 -0.21 1.05 4.81 -1.92 0.13 114.58 119.77 1h3n h GLU 524 Ca 0.64 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.75 1h3n h GLU 524 Cb 1.21 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.42 1h3n h GLU 524 CO -0.48 0.52 -0.12 0.87 -0.73 0.00 0.00 179.01 179.08 1h3n h LYS 525 N 0.77 0.45 -0.38 1.92 1.57 -1.51 -2.84 116.57 116.54 1h3n h LYS 525 Ca 0.21 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1h3n h LYS 525 Cb -0.06 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1h3n h LYS 525 CO -0.04 0.75 0.07 0.00 -0.57 0.00 0.00 179.45 179.65 1h3n h ALA 526 N 0.69 0.51 0.00 3.86 0.00 -1.17 -2.76 119.26 120.39 1h3n h ALA 526 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1h3n h ALA 526 Cb 0.62 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1h3n h ALA 526 CO 0.03 0.21 0.00 -0.91 0.00 0.00 0.00 179.25 178.58 1h3n h ASN 527 N 0.48 0.00 0.58 0.00 2.35 -0.77 0.12 115.58 118.34 1h3n h ASN 527 Ca 0.12 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.58 1h3n h ASN 527 Cb 0.35 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.72 1h3n h ASN 527 CO 0.01 0.00 -1.30 0.00 -1.65 0.00 0.00 177.43 174.49 1h3n h ALA 528 N 2.01 0.09 0.00 -0.83 0.00 -1.24 -3.36 119.26 115.94 1h3n h ALA 528 Ca 0.00 -0.91 -0.18 0.00 0.00 0.00 0.00 54.91 53.81 1h3n h ALA 528 Cb 0.26 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1h3n h ALA 528 CO 0.00 0.97 -1.58 0.91 0.00 0.00 0.00 179.25 179.55 1h3n n TRP 529 N -3.54 0.80 -2.15 0.00 7.02 -0.92 -4.84 117.44 113.81 1h3n n TRP 529 Ca -0.10 0.27 -0.31 0.00 -1.02 0.00 0.00 57.50 56.33 1h3n n TRP 529 Cb 1.03 -1.04 -0.01 0.00 -2.42 0.00 0.00 31.31 28.87 1h3n n TRP 529 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 1h3n s MET 530 N -2.90 3.76 0.79 -0.99 -1.94 0.38 -4.54 119.30 113.86 1h3n s MET 530 Ca -0.04 0.82 -0.07 0.00 -1.71 0.00 0.00 55.69 54.69 1h3n s MET 530 Cb 0.09 -2.12 0.13 0.00 2.01 0.00 0.00 34.83 34.94 1h3n s MET 530 CO 0.82 -0.42 1.10 -1.25 -0.01 0.00 0.00 175.02 175.27 1h3n s PRO 531 N -4.64 1.47 -0.00 2.03 0.04 -1.26 -4.90 135.00 127.74 1h3n s PRO 531 Ca 0.56 -0.67 -0.30 0.00 0.04 0.00 0.00 61.00 60.64 1h3n s PRO 531 Cb -0.10 -2.13 -0.07 0.00 0.04 0.00 0.00 34.50 32.24 1h3n s PRO 531 CO 0.43 -1.70 1.61 0.08 0.04 0.00 0.00 177.00 177.46 1h3n s VAL 532 N -3.41 3.41 0.15 -0.36 1.01 0.12 -4.70 120.40 116.62 1h3n s VAL 532 Ca 0.67 0.69 -0.08 0.00 0.00 0.00 0.00 61.98 63.26 1h3n s VAL 532 Cb -0.06 -3.44 -0.10 0.00 0.00 0.00 0.00 36.38 32.78 1h3n s VAL 532 CO 0.47 -0.03 1.41 0.44 0.00 0.00 0.00 175.10 177.39 1h3n h ASP 533 N 8.84 0.80 -2.80 3.32 5.19 -1.58 -1.04 116.42 129.14 1h3n h ASP 533 Ca -0.40 -0.47 -0.27 0.00 -0.62 0.00 0.00 57.03 55.27 1h3n h ASP 533 Cb 1.19 -0.23 -0.34 0.00 0.18 0.00 0.00 39.33 40.12 1h3n h ASP 533 CO 0.94 1.23 -0.59 -1.58 -3.12 0.00 0.00 179.24 176.12 1h3n s GLN 534 N -3.92 0.13 -0.11 3.56 2.00 -1.00 -3.18 119.66 117.13 1h3n s GLN 534 Ca -0.09 0.51 -0.01 0.00 -2.00 0.00 0.00 55.36 53.77 1h3n s GLN 534 Cb 0.10 -0.50 -0.03 0.00 0.80 0.00 0.00 33.01 33.39 1h3n s GLN 534 CO 0.87 -0.42 -0.07 -0.47 -0.50 0.00 0.00 175.29 174.71 1h3n s TYR 535 N 2.35 2.95 -0.11 1.67 5.04 0.09 -1.11 117.35 128.24 1h3n s TYR 535 Ca 0.04 -0.23 0.01 0.00 -2.44 0.00 0.00 57.07 54.45 1h3n s TYR 535 Cb -0.13 -1.84 0.02 0.00 0.35 0.00 0.00 41.96 40.36 1h3n s TYR 535 CO -0.09 0.08 -0.14 0.42 -1.34 0.00 0.00 175.55 174.48 1h3n s ILE 536 N -0.12 1.43 -0.07 3.14 1.01 -0.11 -0.44 121.20 126.03 1h3n s ILE 536 Ca 0.01 -0.59 -0.32 0.00 0.00 0.00 0.00 60.65 59.76 1h3n s ILE 536 Cb -0.13 -1.32 0.13 0.00 0.01 0.00 0.00 42.46 41.14 1h3n s ILE 536 CO 0.03 0.43 1.27 -0.83 0.00 0.00 0.00 174.94 175.84 1h3n s GLY 537 N 1.12 -0.38 0.48 6.18 0.00 -1.02 -1.96 107.32 111.73 1h3n s GLY 537 Ca -0.04 0.96 -0.23 0.00 0.00 0.00 0.00 44.72 45.41 1h3n s GLY 537 CO -0.03 0.24 1.26 -0.32 0.00 0.00 0.00 173.10 174.24 1h3n s GLY 538 N -2.75 2.84 0.28 0.20 0.00 -1.26 -3.45 107.32 103.17 1h3n s GLY 538 Ca 0.13 1.13 0.24 0.00 0.00 0.00 0.00 44.72 46.21 1h3n s GLY 538 CO -0.04 1.63 1.71 1.55 0.00 0.00 0.00 173.10 177.95 1h3n n VAL 539 N -0.57 0.86 0.14 1.40 3.14 -1.26 -2.63 118.33 119.40 1h3n n VAL 539 Ca 0.08 0.33 0.09 0.00 -2.96 0.00 0.00 64.34 61.88 1h3n n VAL 539 Cb 0.46 -1.28 0.49 0.00 -1.06 0.00 0.00 33.84 32.45 1h3n n VAL 539 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 1h3n n GLU 540 N -2.27 0.12 -0.33 1.45 0.00 -1.26 -1.06 120.64 117.28 1h3n n GLU 540 Ca 0.01 0.61 0.11 0.00 0.00 0.00 0.00 57.16 57.89 1h3n n GLU 540 Cb 0.19 -1.91 0.29 0.00 0.00 0.00 0.00 31.44 30.01 1h3n n GLU 540 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1h3n n HIS 541 N -2.13 0.88 -0.24 -1.84 8.25 -1.08 -4.67 115.22 114.38 1h3n n HIS 541 Ca -0.01 -0.44 -0.01 0.00 -0.26 0.00 0.00 57.72 57.00 1h3n n HIS 541 Cb 0.05 -0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.22 1h3n n HIS 541 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1h3n h ALA 542 N 4.20 0.31 -0.39 -1.41 0.00 -1.34 -1.17 119.26 119.46 1h3n h ALA 542 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1h3n h ALA 542 Cb 0.88 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1h3n h ALA 542 CO 0.00 -0.50 0.00 1.33 0.00 0.00 0.00 179.25 180.08 1h3n n VAL 543 N -5.47 1.23 0.00 0.00 0.24 -1.26 -3.93 118.33 109.14 1h3n n VAL 543 Ca 0.08 -1.13 0.00 0.00 -2.04 0.00 0.00 64.34 61.25 1h3n n VAL 543 Cb 0.37 0.37 0.00 0.00 -1.47 0.00 0.00 33.84 33.11 1h3n n VAL 543 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1h3n n LEU 544 N 0.52 0.00 -0.30 1.34 4.77 -0.80 -4.63 117.00 117.90 1h3n n LEU 544 Ca 0.15 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.22 1h3n n LEU 544 Cb 0.54 0.00 0.25 0.00 -2.33 0.00 0.00 43.42 41.88 1h3n n LEU 544 CO 0.11 0.00 1.10 -0.74 -1.33 0.00 0.00 177.39 176.53 1h3n h HIS 545 N 0.00 0.78 0.00 -1.77 6.17 -1.88 -0.23 115.15 118.22 1h3n h HIS 545 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.12 1h3n h HIS 545 Cb 0.00 -0.22 0.00 0.00 2.52 0.00 0.00 27.41 29.71 1h3n h HIS 545 CO 0.00 0.16 0.00 1.28 0.71 0.00 0.00 177.93 180.08 1h3n n LEU 546 N -4.88 0.57 -0.12 0.26 4.77 -0.51 -1.52 117.00 115.56 1h3n n LEU 546 Ca 0.18 0.65 -0.24 0.00 -0.03 0.00 0.00 56.01 56.57 1h3n n LEU 546 Cb 0.48 -0.59 -0.08 0.00 -2.33 0.00 0.00 43.42 40.90 1h3n n LEU 546 CO 0.20 -0.56 -1.19 -0.11 -1.33 0.00 0.00 177.39 174.40 1h3n n LEU 547 N -2.14 1.94 -0.33 2.23 7.94 -0.34 -4.23 117.00 122.07 1h3n n LEU 547 Ca 0.02 0.35 0.06 0.00 -1.11 0.00 0.00 56.01 55.33 1h3n n LEU 547 Cb 0.20 -0.82 0.22 0.00 0.53 0.00 0.00 43.42 43.56 1h3n n LEU 547 CO 0.18 0.35 1.19 1.88 -1.11 0.00 0.00 177.39 179.87 1h3n h TYR 548 N -1.00 1.01 -0.86 1.96 0.05 -1.10 -2.07 116.97 114.96 1h3n h TYR 548 Ca -0.51 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.29 1h3n h TYR 548 Cb 1.43 -0.31 -0.04 0.00 1.01 0.00 0.00 36.73 38.82 1h3n h TYR 548 CO -0.15 0.38 0.49 0.77 -1.05 0.00 0.00 178.16 178.60 1h3n h SER 549 N 0.88 1.06 -0.48 3.88 0.02 -1.50 -1.04 113.55 116.35 1h3n h SER 549 Ca 0.47 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 61.26 1h3n h SER 549 Cb 0.50 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 1h3n h SER 549 CO -0.28 0.84 0.05 0.03 -1.14 0.00 0.00 176.83 176.33 1h3n h ARG 550 N 1.19 0.88 -0.02 3.45 3.08 -1.56 -1.08 114.38 120.33 1h3n h ARG 550 Ca 0.31 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 1h3n h ARG 550 Cb -0.00 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 1h3n h ARG 550 CO -0.05 0.84 0.01 0.35 -1.07 0.00 0.00 179.97 180.05 1h3n h PHE 551 N 0.83 0.03 -0.80 3.04 3.57 -1.08 -1.10 116.94 121.43 1h3n h PHE 551 Ca 0.17 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.70 1h3n h PHE 551 Cb 0.42 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.10 1h3n h PHE 551 CO 0.02 0.21 0.51 0.74 -2.23 0.00 0.00 178.31 177.56 1h3n h PHE 552 N -0.16 0.95 -0.56 0.41 -1.00 -0.99 -0.33 116.94 115.26 1h3n h PHE 552 Ca 0.01 0.03 -0.09 0.00 2.81 0.00 0.00 57.97 60.73 1h3n h PHE 552 Cb 0.19 -0.31 -0.02 0.00 3.61 0.00 0.00 35.95 39.42 1h3n h PHE 552 CO -0.01 0.54 0.02 1.15 -1.61 0.00 0.00 178.31 178.40 1h3n h THR 553 N 0.99 1.26 -0.62 -1.55 2.02 -1.05 0.09 112.91 114.04 1h3n h THR 553 Ca 0.32 -1.10 -0.08 0.00 0.77 0.00 0.00 66.41 66.33 1h3n h THR 553 Cb 0.02 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 1h3n h THR 553 CO -0.12 0.39 0.08 0.11 0.37 0.00 0.00 175.52 176.36 1h3n h LYS 554 N 0.87 1.03 -0.15 6.66 1.57 -0.74 0.17 116.57 125.98 1h3n h LYS 554 Ca 0.16 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1h3n h LYS 554 Cb 0.52 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1h3n h LYS 554 CO 0.03 0.96 0.02 0.35 -0.57 0.00 0.00 179.45 180.24 1h3n h PHE 555 N 0.97 0.27 0.00 -1.35 3.57 -0.79 -0.73 116.94 118.87 1h3n h PHE 555 Ca 0.19 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 1h3n h PHE 555 Cb 0.45 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1h3n h PHE 555 CO 0.03 0.43 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.28 1h3n h LEU 556 N 0.03 0.00 -0.18 0.59 3.38 -0.84 -1.33 115.31 116.96 1h3n h LEU 556 Ca 0.05 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1h3n h LEU 556 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1h3n h LEU 556 CO 0.00 0.19 -0.07 -0.74 0.09 0.00 0.00 178.44 177.91 1h3n h HIS 557 N 0.00 0.42 0.00 1.13 2.76 -0.67 -1.23 115.15 117.56 1h3n h HIS 557 Ca -0.00 -0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.06 1h3n h HIS 557 Cb 0.34 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.20 1h3n h HIS 557 CO 0.00 0.66 -0.03 -0.44 -1.30 0.00 0.00 177.93 176.81 1h3n h ASP 558 N 0.07 0.00 1.19 3.26 3.32 -0.26 0.32 116.42 124.32 1h3n h ASP 558 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1h3n h ASP 558 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1h3n h ASP 558 CO 0.02 0.03 0.00 0.18 -1.72 0.00 0.00 179.24 177.76 1h3n n LEU 559 N -3.95 0.64 0.00 1.55 4.77 -0.59 -4.89 117.00 114.53 1h3n n LEU 559 Ca -0.03 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1h3n n LEU 559 Cb 0.12 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1h3n n LEU 559 CO 0.29 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 1h3n n GLY 560 N 0.95 0.70 0.08 -0.72 0.00 0.11 -4.96 105.19 101.35 1h3n n GLY 560 Ca 0.05 -0.26 0.08 0.00 0.00 0.00 0.00 46.02 45.89 1h3n n GLY 560 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1h3n n MET 561 N -2.54 0.63 -4.41 1.61 2.81 -0.49 -4.89 117.12 109.84 1h3n n MET 561 Ca 0.00 0.05 -0.23 0.00 -1.81 0.00 0.00 57.70 55.72 1h3n n MET 561 Cb 0.00 -1.73 -0.16 0.00 -0.71 0.00 0.00 33.22 30.62 1h3n n MET 561 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1h3n s VAL 562 N -3.27 0.88 0.03 2.03 1.01 -1.19 -4.39 120.40 115.51 1h3n s VAL 562 Ca -0.03 -0.33 -0.21 0.00 0.00 0.00 0.00 61.98 61.41 1h3n s VAL 562 Cb 0.10 -0.84 -0.15 0.00 0.00 0.00 0.00 36.38 35.49 1h3n s VAL 562 CO 0.83 0.30 1.32 0.50 0.00 0.00 0.00 175.10 178.05 1h3n h LYS 563 N 7.05 0.31 -7.37 2.72 3.64 -1.91 -3.38 116.57 117.64 1h3n h LYS 563 Ca -0.34 -0.17 -0.50 0.00 -1.27 0.00 0.00 60.65 58.37 1h3n h LYS 563 Cb 1.17 0.01 0.12 0.00 -0.41 0.00 0.00 32.23 33.12 1h3n h LYS 563 CO 0.47 0.73 0.32 0.14 -2.27 0.00 0.00 179.45 178.85 1h3n s VAL 564 N -4.23 3.23 -0.56 2.00 -7.23 -1.26 -4.98 120.40 107.36 1h3n s VAL 564 Ca -0.14 0.40 0.05 0.00 -1.81 0.00 0.00 61.98 60.47 1h3n s VAL 564 Cb 0.05 -3.06 0.03 0.00 0.56 0.00 0.00 36.38 33.95 1h3n s VAL 564 CO 0.75 -0.52 0.60 -0.62 -0.31 0.00 0.00 175.10 175.00 1h3n n GLU 565 N -3.46 0.30 -3.83 4.82 1.02 -1.26 -4.73 120.64 113.50 1h3n n GLU 565 Ca 0.07 -0.70 -0.26 0.00 -0.02 0.00 0.00 57.16 56.25 1h3n n GLU 565 Cb 0.55 -1.05 -0.17 0.00 -0.02 0.00 0.00 31.44 30.75 1h3n n GLU 565 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1h3n s GLU 566 N -0.51 1.04 0.26 3.49 0.41 -1.26 -4.34 118.70 117.79 1h3n s GLU 566 Ca 0.05 -0.17 0.00 0.00 -0.41 0.00 0.00 54.97 54.45 1h3n s GLU 566 Cb 0.04 -1.47 0.33 0.00 -1.78 0.00 0.00 34.13 31.25 1h3n s GLU 566 CO 0.07 -0.35 1.68 -1.00 -0.49 0.00 0.00 175.26 175.17 1h3n h PRO 567 N 8.24 0.56 -4.57 0.39 0.13 -1.91 -3.41 132.00 131.42 1h3n h PRO 567 Ca -0.23 -0.22 -0.68 0.00 -0.87 0.00 0.00 66.00 63.99 1h3n h PRO 567 Cb 1.12 -0.03 -0.37 0.00 0.13 0.00 0.00 31.00 31.86 1h3n h PRO 567 CO 0.34 0.77 -0.62 -0.06 -0.23 0.00 0.00 178.00 178.20 1h3n s PHE 568 N -4.49 3.65 0.26 1.56 0.08 -1.26 -0.70 117.98 117.08 1h3n s PHE 568 Ca -0.07 -2.64 -0.03 0.00 0.12 0.00 0.00 56.93 54.30 1h3n s PHE 568 Cb 0.13 -3.08 0.32 0.00 -0.57 0.00 0.00 43.02 39.83 1h3n s PHE 568 CO 0.80 -0.96 1.81 0.37 -0.10 0.00 0.00 175.22 177.15 1h3n h GLN 569 N 7.87 0.96 -4.85 0.44 4.15 -1.42 -3.42 115.11 118.84 1h3n h GLN 569 Ca -0.10 -0.18 -0.48 0.00 0.77 0.00 0.00 58.65 58.66 1h3n h GLN 569 Cb 1.04 -0.15 -0.31 0.00 0.21 0.00 0.00 27.48 28.26 1h3n h GLN 569 CO 0.62 0.82 -0.81 0.20 -1.93 0.00 0.00 178.83 177.74 1h3n s GLY 570 N -3.53 0.69 -0.04 2.39 0.00 -1.19 -3.04 107.32 102.59 1h3n s GLY 570 Ca -0.11 -0.47 0.02 0.00 0.00 0.00 0.00 44.72 44.17 1h3n s GLY 570 CO 0.81 -0.17 -0.10 -2.27 0.00 0.00 0.00 173.10 171.37 1h3n s LEU 571 N 0.17 1.72 -0.13 0.66 2.96 -0.97 -0.73 118.68 122.36 1h3n s LEU 571 Ca -0.04 -0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 53.64 1h3n s LEU 571 Cb -0.10 -0.65 0.03 0.00 0.50 0.00 0.00 46.19 45.97 1h3n s LEU 571 CO 0.01 0.06 -0.07 0.12 -1.32 0.00 0.00 176.35 175.14 1h3n s PHE 572 N 0.36 1.55 -0.28 5.38 2.19 0.42 -4.26 117.98 123.34 1h3n s PHE 572 Ca -0.07 -0.83 -0.16 0.00 0.33 0.00 0.00 56.93 56.20 1h3n s PHE 572 Cb -0.11 -1.26 -0.03 0.00 -1.31 0.00 0.00 43.02 40.30 1h3n s PHE 572 CO 0.01 -0.54 0.43 0.95 1.83 0.00 0.00 175.22 177.90 1h3n s THR 573 N 1.69 5.12 0.22 0.12 -4.23 -1.26 -2.45 115.64 114.86 1h3n s THR 573 Ca 0.04 0.63 -0.21 0.00 -1.18 0.00 0.00 61.69 60.98 1h3n s THR 573 Cb -0.13 -3.77 -0.08 0.00 1.34 0.00 0.00 72.50 69.86 1h3n s THR 573 CO -0.08 0.09 0.75 0.00 -0.54 0.00 0.00 174.62 174.83 1h3n s GLN 574 N 2.18 4.31 0.76 3.99 0.00 -1.22 -4.50 119.66 125.18 1h3n s GLN 574 Ca 0.17 0.93 -0.11 0.00 -0.00 0.00 0.00 55.36 56.35 1h3n s GLN 574 Cb -0.16 -2.91 0.05 0.00 0.00 0.00 0.00 33.01 30.00 1h3n s GLN 574 CO 0.10 0.40 1.10 0.20 0.00 0.00 0.00 175.29 177.10 1h3n s GLY 575 N -1.59 1.78 0.46 2.60 0.00 0.54 -4.70 107.32 106.41 1h3n s GLY 575 Ca 0.43 0.37 -0.20 0.00 0.00 0.00 0.00 44.72 45.31 1h3n s GLY 575 CO 0.22 0.72 0.98 1.06 0.00 0.00 0.00 173.10 176.08 1h3n s MET 576 N -4.70 4.06 -0.14 2.90 1.00 -1.26 -4.75 119.30 116.41 1h3n s MET 576 Ca 0.63 1.16 -0.18 0.00 0.00 0.00 0.00 55.69 57.30 1h3n s MET 576 Cb -0.19 -2.15 -0.04 0.00 0.00 0.00 0.00 34.83 32.46 1h3n s MET 576 CO 0.53 -0.19 0.49 0.08 0.00 0.00 0.00 175.02 175.93 1h3n s VAL 577 N -2.19 5.17 0.31 -6.03 1.01 -1.26 -1.77 120.40 115.64 1h3n s VAL 577 Ca 0.63 0.95 0.08 0.00 0.00 0.00 0.00 61.98 63.64 1h3n s VAL 577 Cb -0.11 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1h3n s VAL 577 CO 0.18 0.29 0.13 -0.76 0.00 0.00 0.00 175.10 174.94 1h3n s LEU 578 N 0.87 3.37 -0.01 3.92 1.43 0.17 -0.81 118.68 127.62 1h3n s LEU 578 Ca 0.25 -0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1h3n s LEU 578 Cb -0.15 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1h3n s LEU 578 CO 0.10 -0.20 0.02 0.00 0.23 0.00 0.00 176.35 176.50 1h3n s ALA 579 N -2.34 -0.04 0.15 4.21 0.00 -0.18 -0.72 121.76 122.84 1h3n s ALA 579 Ca 0.36 0.02 -0.31 0.00 0.00 0.00 0.00 51.96 52.03 1h3n s ALA 579 Cb -0.05 -0.02 -0.11 0.00 0.00 0.00 0.00 23.12 22.94 1h3n s ALA 579 CO 0.23 -0.02 1.78 -1.58 0.00 0.00 0.00 175.76 176.17 1h3n s TRP 580 N -0.06 2.44 -0.03 0.00 0.52 -1.26 -1.24 118.94 119.31 1h3n s TRP 580 Ca -0.01 0.13 0.05 0.00 0.02 0.00 0.00 56.10 56.29 1h3n s TRP 580 Cb -0.01 -4.15 -0.01 0.00 -1.15 0.00 0.00 33.47 28.15 1h3n s TRP 580 CO -0.00 -4.61 -0.18 0.99 0.02 0.00 0.00 176.95 173.17 1h3n s THR 581 N 2.16 1.44 -0.29 2.01 2.01 -0.23 -4.91 115.64 117.82 1h3n s THR 581 Ca 0.78 -0.75 -0.23 0.00 0.31 0.00 0.00 61.69 61.80 1h3n s THR 581 Cb -0.47 -1.21 -0.00 0.00 0.01 0.00 0.00 72.50 70.82 1h3n s THR 581 CO 0.35 0.41 0.77 -0.62 -0.69 0.00 0.00 174.62 174.84 1h3n s ASP 582 N -0.23 6.67 0.00 3.53 -1.08 -1.26 -1.10 116.67 123.20 1h3n s ASP 582 Ca 0.02 0.71 0.24 0.00 -0.52 0.00 0.00 52.55 53.00 1h3n s ASP 582 Cb -0.09 -2.40 0.23 0.00 -1.46 0.00 0.00 42.92 39.20 1h3n s ASP 582 CO 0.01 -0.57 1.23 0.49 0.52 0.00 0.00 175.17 176.84 1h3n n PHE 583 N 6.12 0.00 0.00 -5.34 3.72 -0.01 -5.01 117.46 116.94 1h3n n PHE 583 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1h3n n PHE 583 Cb 0.48 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 1h3n n PHE 583 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1h3n n GLY 584 N 1.44 2.26 3.75 1.37 0.00 -1.25 -4.37 105.19 108.38 1h3n n GLY 584 Ca 0.08 -2.16 -0.34 0.00 0.00 0.00 0.00 46.02 43.59 1h3n n GLY 584 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h3n s PRO 585 N -1.80 2.50 0.24 1.61 0.04 -1.26 -0.79 135.00 135.54 1h3n s PRO 585 Ca 0.00 1.61 -0.04 0.00 0.04 0.00 0.00 61.00 62.61 1h3n s PRO 585 Cb 0.00 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.62 1h3n s PRO 585 CO 0.00 -1.52 0.30 0.14 0.04 0.00 0.00 177.00 175.96 1h3n s VAL 586 N -2.09 0.00 -0.05 -0.36 -7.23 0.18 -4.44 120.40 106.41 1h3n s VAL 586 Ca 0.71 -1.76 0.02 0.00 -1.81 0.00 0.00 61.98 59.15 1h3n s VAL 586 Cb -0.25 -2.42 0.01 0.00 0.56 0.00 0.00 36.38 34.28 1h3n s VAL 586 CO 0.42 0.00 -0.09 -1.61 -0.31 0.00 0.00 175.10 173.51 1h3n s GLU 587 N -3.92 1.25 -0.10 4.82 2.02 -0.81 -4.28 118.70 117.69 1h3n s GLU 587 Ca 0.33 -0.30 -0.01 0.00 0.02 0.00 0.00 54.97 55.01 1h3n s GLU 587 Cb 0.03 -1.11 -0.03 0.00 0.10 0.00 0.00 34.13 33.12 1h3n s GLU 587 CO 0.13 0.02 -0.04 0.08 0.02 0.00 0.00 175.26 175.47 1h3n s VAL 588 N 0.61 3.91 -0.23 2.63 1.01 -1.26 0.37 120.40 127.44 1h3n s VAL 588 Ca -0.11 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 1h3n s VAL 588 Cb -0.14 -2.64 0.09 0.00 0.00 0.00 0.00 36.38 33.69 1h3n s VAL 588 CO 0.02 0.57 0.16 -0.70 0.00 0.00 0.00 175.10 175.15 1h3n s GLU 589 N -0.47 0.17 7.37 2.72 2.56 -0.40 -5.01 118.70 125.64 1h3n s GLU 589 Ca 0.07 -0.14 0.00 0.00 0.00 0.00 0.00 54.97 54.91 1h3n s GLU 589 Cb -0.12 -1.32 0.00 0.00 2.00 0.00 0.00 34.13 34.69 1h3n s GLU 589 CO 0.02 -0.81 0.00 0.41 -0.56 0.00 0.00 175.26 174.32 1h3n n GLY 590 N 5.29 2.57 0.71 -1.50 0.00 -1.26 -1.78 105.19 109.22 1h3n n GLY 590 Ca -0.06 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 45.79 1h3n n GLY 590 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h3n n SER 591 N 5.76 2.16 -4.44 1.61 3.41 -1.26 -4.89 113.62 115.97 1h3n n SER 591 Ca 0.00 -1.76 -0.35 0.00 -0.26 0.00 0.00 58.87 56.50 1h3n n SER 591 Cb 0.00 -0.10 -0.13 0.00 -0.26 0.00 0.00 64.21 63.72 1h3n n SER 591 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1h3n s VAL 592 N -1.79 3.86 -0.29 -3.33 1.01 -0.73 -0.98 120.40 118.15 1h3n s VAL 592 Ca 0.34 -0.35 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 1h3n s VAL 592 Cb 0.19 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 1h3n s VAL 592 CO 0.29 0.44 0.19 -0.69 0.00 0.00 0.00 175.10 175.34 1h3n s VAL 593 N 0.91 5.28 -0.06 2.92 1.01 0.30 -1.28 120.40 129.49 1h3n s VAL 593 Ca 0.01 0.10 -0.21 0.00 0.00 0.00 0.00 61.98 61.88 1h3n s VAL 593 Cb -0.14 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1h3n s VAL 593 CO 0.02 0.21 0.60 -0.60 0.00 0.00 0.00 175.10 175.33 1h3n s ARG 594 N 1.75 4.37 -0.33 2.72 3.52 0.16 -0.98 118.95 130.16 1h3n s ARG 594 Ca 0.07 0.71 -0.06 0.00 -0.13 0.00 0.00 55.73 56.32 1h3n s ARG 594 Cb -0.16 -3.41 0.04 0.00 -1.56 0.00 0.00 34.95 29.86 1h3n s ARG 594 CO 0.11 0.20 0.09 -0.51 -0.81 0.00 0.00 175.30 174.38 1h3n s LEU 595 N 0.40 4.22 0.80 -0.88 1.43 -0.16 -1.92 118.68 122.58 1h3n s LEU 595 Ca 0.32 -1.11 -0.13 0.00 -1.03 0.00 0.00 54.13 52.18 1h3n s LEU 595 Cb -0.17 -1.85 0.08 0.00 0.03 0.00 0.00 46.19 44.27 1h3n s LEU 595 CO 0.16 -0.31 1.17 -2.16 0.23 0.00 0.00 176.35 175.44 1h3n s PRO 596 N 1.39 1.79 0.22 1.29 0.04 -1.26 -4.60 135.00 133.88 1h3n s PRO 596 Ca -0.02 1.59 -0.13 0.00 0.04 0.00 0.00 61.00 62.49 1h3n s PRO 596 Cb -0.19 -1.81 0.26 0.00 0.04 0.00 0.00 34.50 32.80 1h3n s PRO 596 CO 0.02 -2.06 1.62 0.93 0.04 0.00 0.00 177.00 177.55 1h3n h GLU 597 N -0.94 0.00 -0.51 4.56 4.39 -1.98 -1.08 114.58 119.02 1h3n h GLU 597 Ca -0.45 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.30 1h3n h GLU 597 Cb 1.28 -0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.87 1h3n h GLU 597 CO 0.47 0.00 0.22 -1.35 -1.16 0.00 0.00 179.01 177.20 1h3n h PRO 598 N 0.00 0.42 -0.13 2.33 0.11 -1.97 -0.47 132.00 132.29 1h3n h PRO 598 Ca 0.32 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.40 1h3n h PRO 598 Cb 0.49 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 1h3n h PRO 598 CO -0.69 0.28 0.05 1.15 -0.21 0.00 0.00 178.00 178.57 1h3n h THR 599 N 0.43 1.17 -0.55 -1.15 2.02 -1.58 -2.03 112.91 111.22 1h3n h THR 599 Ca 0.24 -0.50 0.04 0.00 0.77 0.00 0.00 66.41 66.95 1h3n h THR 599 Cb 0.20 1.26 -0.04 0.00 -1.74 0.00 0.00 68.15 67.83 1h3n h THR 599 CO -0.20 0.15 0.30 -0.09 0.37 0.00 0.00 175.52 176.05 1h3n h ARG 600 N 0.04 0.57 -0.73 6.66 2.43 -0.95 -1.62 114.38 120.78 1h3n h ARG 600 Ca 0.04 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1h3n h ARG 600 Cb 0.20 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 1h3n h ARG 600 CO -0.00 0.38 0.24 0.82 -1.51 0.00 0.00 179.97 179.89 1h3n h ILE 601 N 0.59 1.26 -0.46 1.20 2.04 -0.98 -0.54 117.51 120.60 1h3n h ILE 601 Ca 0.24 -0.87 -0.08 0.00 1.00 0.00 0.00 64.86 65.15 1h3n h ILE 601 Cb 0.11 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1h3n h ILE 601 CO -0.14 0.34 -0.03 0.03 0.00 0.00 0.00 178.15 178.35 1h3n h ARG 602 N 1.07 0.78 0.00 2.37 3.08 -0.96 -1.93 114.38 118.80 1h3n h ARG 602 Ca 0.24 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1h3n h ARG 602 Cb 0.28 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1h3n h ARG 602 CO -0.01 0.81 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.60 1h3n h LEU 603 N 0.72 0.00 -1.49 3.04 3.38 -0.80 -3.47 115.31 116.68 1h3n h LEU 603 Ca 0.14 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.76 1h3n h LEU 603 Cb 0.48 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.39 1h3n h LEU 603 CO 0.02 0.02 -0.75 -0.62 0.09 0.00 0.00 178.44 177.20 1h3n n GLU 604 N -3.12 -6.84 -4.22 1.13 1.02 -0.26 -5.03 120.64 103.33 1h3n n GLU 604 Ca 0.01 0.84 -0.17 0.00 -0.02 0.00 0.00 57.16 57.82 1h3n n GLU 604 Cb 0.37 -5.85 -0.11 0.00 -0.02 0.00 0.00 31.44 25.83 1h3n n GLU 604 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1h3n s ILE 605 N -3.36 1.20 -0.72 -3.67 -4.36 -1.21 -5.06 121.20 104.01 1h3n s ILE 605 Ca 0.12 -1.70 0.26 0.00 -0.26 0.00 0.00 60.65 59.06 1h3n s ILE 605 Cb -0.05 -1.48 0.24 0.00 1.25 0.00 0.00 42.46 42.41 1h3n s ILE 605 CO 0.73 -0.47 1.69 -0.81 0.24 0.00 0.00 174.94 176.31 1h3n n PRO 606 N 0.51 0.26 -2.46 0.37 -0.04 -1.26 -4.76 135.00 127.62 1h3n n PRO 606 Ca -0.15 0.18 -0.42 0.00 -0.04 0.00 0.00 63.50 63.07 1h3n n PRO 606 Cb 0.57 -1.77 -0.03 0.00 -0.04 0.00 0.00 33.50 32.23 1h3n n PRO 606 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1h3n s GLU 607 N -3.11 4.50 0.00 0.54 8.01 -1.26 -4.89 118.70 122.49 1h3n s GLU 607 Ca 0.10 1.74 0.22 0.00 0.01 0.00 0.00 54.97 57.04 1h3n s GLU 607 Cb 0.13 -3.32 -0.06 0.00 -4.31 0.00 0.00 34.13 26.57 1h3n s GLU 607 CO 0.62 -0.12 1.04 0.43 0.01 0.00 0.00 175.26 177.24 1h3n n SER 608 N 3.27 1.81 -3.80 -0.19 7.64 -1.26 -4.87 113.62 116.22 1h3n n SER 608 Ca 0.06 -1.40 -0.13 0.00 1.01 0.00 0.00 58.87 58.41 1h3n n SER 608 Cb 0.46 0.59 -0.14 0.00 -1.01 0.00 0.00 64.21 64.11 1h3n n SER 608 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h3n s ALA 609 N -2.56 -0.17 0.02 -0.43 0.00 -1.26 -0.98 121.76 116.37 1h3n s ALA 609 Ca 0.16 0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.53 1h3n s ALA 609 Cb 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 1h3n s ALA 609 CO 0.63 -0.09 -0.09 -0.51 0.00 0.00 0.00 175.76 175.70 1h3n s LEU 610 N 0.57 2.11 0.62 0.00 1.43 -0.15 -4.96 118.68 118.30 1h3n s LEU 610 Ca -0.04 -0.32 -0.09 0.00 -1.03 0.00 0.00 54.13 52.65 1h3n s LEU 610 Cb -0.06 -0.37 -0.01 0.00 0.03 0.00 0.00 46.19 45.78 1h3n s LEU 610 CO -0.02 -0.00 0.98 -0.94 0.23 0.00 0.00 176.35 176.60 1h3n s SER 611 N -0.77 5.78 0.39 2.29 1.04 -1.26 0.11 113.70 121.29 1h3n s SER 611 Ca -0.01 1.05 0.07 0.00 0.48 0.00 0.00 55.95 57.54 1h3n s SER 611 Cb -0.06 -2.03 0.82 0.00 0.10 0.00 0.00 66.02 64.85 1h3n s SER 611 CO 0.00 -1.04 2.01 -0.07 0.98 0.00 0.00 173.24 175.12 1h3n h LEU 612 N -0.31 0.55 -0.68 2.42 3.38 -1.43 -0.78 115.31 118.46 1h3n h LEU 612 Ca -0.45 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.43 1h3n h LEU 612 Cb 1.23 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 1h3n h LEU 612 CO 0.62 0.37 0.08 -0.08 0.09 0.00 0.00 178.44 179.52 1h3n h GLU 613 N 0.63 1.10 -0.80 1.13 4.57 -1.92 -1.78 114.58 117.51 1h3n h GLU 613 Ca 0.23 -0.31 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1h3n h GLU 613 Cb 0.13 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.56 1h3n h GLU 613 CO -0.06 1.02 0.46 -0.44 -1.18 0.00 0.00 179.01 178.81 1h3n h ASP 614 N 1.02 0.99 -0.41 1.04 3.32 -1.52 -0.05 116.42 120.82 1h3n h ASP 614 Ca 0.20 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1h3n h ASP 614 Cb 0.48 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1h3n h ASP 614 CO 0.02 0.79 0.17 0.58 -1.72 0.00 0.00 179.24 179.08 1h3n h VAL 615 N 1.11 1.19 -0.06 -1.35 2.07 -1.08 -2.19 116.25 115.93 1h3n h VAL 615 Ca 0.29 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1h3n h VAL 615 Cb 0.00 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1h3n h VAL 615 CO -0.05 0.21 0.03 -0.09 0.02 0.00 0.00 177.57 177.69 1h3n h ARG 616 N 0.51 0.09 -0.55 1.57 2.43 -1.01 -0.67 114.38 116.76 1h3n h ARG 616 Ca 0.14 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.35 1h3n h ARG 616 Cb 0.17 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1h3n h ARG 616 CO -0.01 0.20 0.36 -0.22 -1.51 0.00 0.00 179.97 178.79 1h3n h LYS 617 N -0.03 0.48 -0.14 0.20 3.64 -0.89 -0.09 116.57 119.73 1h3n h LYS 617 Ca 0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1h3n h LYS 617 Cb 0.13 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1h3n h LYS 617 CO -0.00 0.32 0.00 0.00 -2.27 0.00 0.00 179.45 177.50 1h3n n MET 618 N -4.47 1.46 -1.19 1.90 0.00 -0.84 -4.89 117.12 109.08 1h3n n MET 618 Ca 0.08 -0.70 -0.02 0.00 0.00 0.00 0.00 57.70 57.05 1h3n n MET 618 Cb 0.25 -1.28 -0.01 0.00 0.00 0.00 0.00 33.22 32.18 1h3n n MET 618 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1h3n n GLY 619 N 0.93 0.51 3.96 3.17 0.00 -0.05 -4.91 105.19 108.82 1h3n n GLY 619 Ca 0.12 -0.96 -0.18 0.00 0.00 0.00 0.00 46.02 45.00 1h3n n GLY 619 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h3n s ALA 620 N -2.09 4.36 0.04 4.61 0.00 -0.27 -4.31 121.76 124.11 1h3n s ALA 620 Ca 0.00 -1.74 -0.19 0.00 0.00 0.00 0.00 51.96 50.03 1h3n s ALA 620 Cb 0.00 -1.42 0.04 0.00 0.00 0.00 0.00 23.12 21.74 1h3n s ALA 620 CO 0.00 -0.25 0.43 -1.83 0.00 0.00 0.00 175.76 174.10 1h3n s GLU 621 N -4.27 0.94 -0.23 0.00 -1.05 -0.23 -4.21 118.70 109.65 1h3n s GLU 621 Ca 0.52 -0.35 -0.09 0.00 -0.15 0.00 0.00 54.97 54.90 1h3n s GLU 621 Cb -0.08 0.42 -0.04 0.00 -0.44 0.00 0.00 34.13 33.99 1h3n s GLU 621 CO 0.31 -0.32 0.13 -0.51 0.95 0.00 0.00 175.26 175.81 1h3n s LEU 622 N -2.00 3.95 -0.06 1.83 1.43 -1.26 -0.74 118.68 121.82 1h3n s LEU 622 Ca -0.05 0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.16 1h3n s LEU 622 Cb -0.01 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.15 1h3n s LEU 622 CO -0.02 0.07 -0.24 -0.13 0.23 0.00 0.00 176.35 176.25 1h3n s ARG 623 N 1.02 2.62 0.34 1.70 0.52 -0.34 -4.93 118.95 119.89 1h3n s ARG 623 Ca 0.06 -0.89 -0.29 0.00 -0.52 0.00 0.00 55.73 54.10 1h3n s ARG 623 Cb -0.14 -2.20 -0.11 0.00 0.52 0.00 0.00 34.95 33.03 1h3n s ARG 623 CO 0.04 0.37 1.46 -2.14 0.02 0.00 0.00 175.30 175.05 1h3n s PRO 624 N -0.12 4.17 0.30 3.54 0.02 -1.26 -1.53 135.00 140.12 1h3n s PRO 624 Ca -0.05 2.48 0.10 0.00 0.02 0.00 0.00 61.00 63.55 1h3n s PRO 624 Cb -0.14 -3.01 -0.05 0.00 0.02 0.00 0.00 34.50 31.32 1h3n s PRO 624 CO 0.04 -0.47 -0.04 -1.58 -0.33 0.00 0.00 177.00 174.62 1h3n s HIS 625 N -0.85 2.54 -0.92 6.54 2.46 0.62 -4.88 115.29 120.81 1h3n s HIS 625 Ca 0.54 -0.34 0.23 0.00 0.47 0.00 0.00 55.06 55.97 1h3n s HIS 625 Cb -0.45 -1.27 0.96 0.00 -0.13 0.00 0.00 32.58 31.68 1h3n s HIS 625 CO 0.57 0.58 1.74 -0.85 -2.47 0.00 0.00 174.74 174.31 1h3n n GLU 626 N -0.86 0.05 -0.04 2.88 0.28 -1.26 -2.64 120.64 119.05 1h3n n GLU 626 Ca -0.05 0.15 0.01 0.00 -0.16 0.00 0.00 57.16 57.11 1h3n n GLU 626 Cb 0.61 -1.57 0.03 0.00 1.43 0.00 0.00 31.44 31.93 1h3n n GLU 626 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1h3n n ASP 627 N -1.67 0.71 0.00 -1.84 3.85 -1.26 -4.83 116.55 111.51 1h3n n ASP 627 Ca 0.05 -2.03 0.00 0.00 -0.71 0.00 0.00 54.79 52.10 1h3n n ASP 627 Cb 0.29 -0.23 0.00 0.00 -1.35 0.00 0.00 41.12 39.83 1h3n n ASP 627 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1h3n n GLY 628 N 0.37 0.81 3.69 6.12 0.00 -1.08 -5.01 105.19 110.08 1h3n n GLY 628 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1h3n n GLY 628 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h3n s THR 629 N -3.30 1.32 -0.18 2.61 -4.23 -1.25 -4.94 115.64 105.67 1h3n s THR 629 Ca 0.00 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.43 1h3n s THR 629 Cb 0.00 -2.42 -0.05 0.00 1.34 0.00 0.00 72.50 71.37 1h3n s THR 629 CO 0.00 0.00 0.11 -0.76 -0.54 0.00 0.00 174.62 173.43 1h3n s LEU 630 N -3.79 4.11 0.06 4.79 1.43 -1.26 -0.28 118.68 123.74 1h3n s LEU 630 Ca 0.16 0.23 0.05 0.00 -1.03 0.00 0.00 54.13 53.54 1h3n s LEU 630 Cb 0.04 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 1h3n s LEU 630 CO 0.09 0.22 -0.04 -1.00 0.23 0.00 0.00 176.35 175.85 1h3n s HIS 631 N 0.08 2.91 -0.26 0.29 3.76 -0.58 -0.65 115.29 120.85 1h3n s HIS 631 Ca 0.08 -0.05 -0.16 0.00 -0.15 0.00 0.00 55.06 54.78 1h3n s HIS 631 Cb -0.12 -1.54 -0.03 0.00 1.11 0.00 0.00 32.58 32.00 1h3n s HIS 631 CO -0.00 0.44 0.43 -1.17 -0.85 0.00 0.00 174.74 173.59 1h3n s LEU 632 N -2.01 4.06 0.04 0.89 0.20 0.03 -1.20 118.68 120.68 1h3n s LEU 632 Ca 0.22 0.41 0.04 0.00 0.69 0.00 0.00 54.13 55.49 1h3n s LEU 632 Cb -0.11 -2.53 -0.04 0.00 -0.43 0.00 0.00 46.19 43.08 1h3n s LEU 632 CO 0.14 -0.21 -0.04 0.26 -0.29 0.00 0.00 176.35 176.21 1h3n s TRP 633 N 2.05 2.93 -0.20 5.38 0.52 0.08 -0.83 118.94 128.88 1h3n s TRP 633 Ca 0.18 -0.03 -0.25 0.00 0.02 0.00 0.00 56.10 56.02 1h3n s TRP 633 Cb -0.16 -1.58 0.06 0.00 -1.15 0.00 0.00 33.47 30.65 1h3n s TRP 633 CO 0.09 0.42 0.66 0.21 0.02 0.00 0.00 176.95 178.35 1h3n s LYS 634 N -1.77 0.84 0.17 4.98 2.20 -0.26 -1.06 119.74 124.83 1h3n s LYS 634 Ca 0.20 0.74 -0.31 0.00 -0.36 0.00 0.00 55.97 56.24 1h3n s LYS 634 Cb -0.11 0.40 -0.09 0.00 -1.51 0.00 0.00 37.83 36.52 1h3n s LYS 634 CO 0.12 -0.15 1.49 -2.14 -0.36 0.00 0.00 175.35 174.30 1h3n s PRO 635 N -0.05 4.26 0.06 4.03 0.02 -1.26 -1.06 135.00 141.00 1h3n s PRO 635 Ca -0.03 2.26 0.05 0.00 0.02 0.00 0.00 61.00 63.31 1h3n s PRO 635 Cb -0.04 -3.17 -0.03 0.00 0.02 0.00 0.00 34.50 31.29 1h3n s PRO 635 CO 0.03 -0.51 -0.14 0.00 -0.33 0.00 0.00 177.00 176.04 1h3n s ALA 636 N 0.86 1.20 0.11 -1.55 0.00 -0.37 -4.84 121.76 117.17 1h3n s ALA 636 Ca 0.66 -0.96 -0.35 0.00 0.00 0.00 0.00 51.96 51.30 1h3n s ALA 636 Cb -0.41 -0.13 -0.15 0.00 0.00 0.00 0.00 23.12 22.43 1h3n s ALA 636 CO 0.34 0.19 1.45 0.28 0.00 0.00 0.00 175.76 178.02 1h3n n VAL 637 N 1.44 0.01 -1.99 0.00 0.31 -1.26 -1.01 118.33 115.83 1h3n n VAL 637 Ca -0.20 -0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.70 1h3n n VAL 637 Cb 0.54 -1.15 -0.03 0.00 -0.91 0.00 0.00 33.84 32.30 1h3n n VAL 637 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1h3n s MET 638 N 0.73 4.18 0.09 5.55 1.75 0.01 -4.81 119.30 126.80 1h3n s MET 638 Ca 0.82 2.21 -0.27 0.00 -1.25 0.00 0.00 55.69 57.21 1h3n s MET 638 Cb -0.83 -3.97 0.08 0.00 2.84 0.00 0.00 34.83 32.95 1h3n s MET 638 CO 0.43 -0.84 0.93 -1.54 -0.65 0.00 0.00 175.02 173.35 1h3n s SER 639 N 3.33 -0.26 0.13 1.11 1.04 -1.26 -4.87 113.70 112.91 1h3n s SER 639 Ca 0.74 -0.23 -0.16 0.00 0.48 0.00 0.00 55.95 56.78 1h3n s SER 639 Cb -0.34 0.44 -0.02 0.00 0.10 0.00 0.00 66.02 66.21 1h3n s SER 639 CO 0.30 -0.78 1.66 0.50 0.98 0.00 0.00 173.24 175.90 1h3n h LYS 640 N 2.00 0.57 -0.95 4.02 3.64 -1.94 -2.26 116.57 121.65 1h3n h LYS 640 Ca -0.24 -0.11 0.15 0.00 -1.27 0.00 0.00 60.65 59.18 1h3n h LYS 640 Cb 1.24 -0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.89 1h3n h LYS 640 CO 0.28 0.56 0.60 0.66 -2.27 0.00 0.00 179.45 179.28 1h3n h SER 641 N 0.46 0.75 1.54 4.20 4.64 -1.96 0.15 113.55 123.32 1h3n h SER 641 Ca 0.12 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1h3n h SER 641 Cb 0.21 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1h3n h SER 641 CO -0.01 0.36 -0.11 0.11 -0.87 0.00 0.00 176.83 176.31 1h3n h LYS 642 N 0.78 0.00 -2.76 4.77 1.79 -1.82 -3.47 116.57 115.86 1h3n h LYS 642 Ca 0.49 0.00 -0.40 0.00 -2.18 0.00 0.00 60.65 58.56 1h3n h LYS 642 Cb 0.71 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.34 1h3n h LYS 642 CO -0.25 0.00 -0.50 0.41 -1.08 0.00 0.00 179.45 178.02 1h3n n GLY 643 N 1.25 -0.37 0.25 3.86 0.00 0.53 -4.87 105.19 105.84 1h3n n GLY 643 Ca 0.05 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.10 1h3n n GLY 643 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1h3n n ASN 644 N -1.76 2.49 -4.76 1.61 6.94 -1.21 -5.05 115.26 113.51 1h3n n ASN 644 Ca -0.23 -3.18 -0.39 0.00 -0.02 0.00 0.00 54.58 50.76 1h3n n ASN 644 Cb 0.68 -0.46 -0.04 0.00 -2.36 0.00 0.00 39.78 37.60 1h3n n ASN 644 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1h3n s GLY 645 N -2.79 2.98 -0.41 4.83 0.00 -1.26 -4.73 107.32 105.95 1h3n s GLY 645 Ca 0.34 0.91 -0.11 0.00 0.00 0.00 0.00 44.72 45.86 1h3n s GLY 645 CO 0.03 1.48 0.25 0.14 0.00 0.00 0.00 173.10 175.00 1h3n s VAL 646 N -1.28 4.51 0.40 1.40 1.01 -1.26 -5.01 120.40 120.17 1h3n s VAL 646 Ca 0.49 -1.13 -0.23 0.00 0.00 0.00 0.00 61.98 61.11 1h3n s VAL 646 Cb -0.31 -3.65 -0.10 0.00 0.00 0.00 0.00 36.38 32.33 1h3n s VAL 646 CO 0.40 -0.40 1.00 -0.04 0.00 0.00 0.00 175.10 176.05 1h3n s MET 647 N 1.51 4.23 0.04 2.72 -1.94 -1.26 -1.08 119.30 123.52 1h3n s MET 647 Ca 0.03 1.34 -0.27 0.00 -1.71 0.00 0.00 55.69 55.08 1h3n s MET 647 Cb -0.22 -2.45 -0.17 0.00 2.01 0.00 0.00 34.83 34.01 1h3n s MET 647 CO 0.05 -0.05 1.45 0.28 -0.01 0.00 0.00 175.02 176.73 1h3n h VAL 648 N 2.13 0.62 -0.46 -6.03 2.07 -1.91 -3.06 116.25 109.61 1h3n h VAL 648 Ca -0.48 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 66.79 1h3n h VAL 648 Cb 1.20 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 31.67 1h3n h VAL 648 CO 0.62 0.06 -0.40 1.23 0.02 0.00 0.00 177.57 179.09 1h3n h GLY 649 N -0.69 -1.33 1.41 2.17 0.00 -1.92 -0.17 103.07 102.53 1h3n h GLY 649 Ca -0.05 0.82 -0.02 0.00 0.00 0.00 0.00 47.33 48.07 1h3n h GLY 649 CO 0.09 -0.29 0.24 -2.55 0.00 0.00 0.00 176.54 174.03 1h3n h PRO 650 N -0.17 0.77 -0.07 4.80 0.11 -2.00 -2.47 132.00 132.96 1h3n h PRO 650 Ca 0.08 -0.10 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 1h3n h PRO 650 Cb 0.37 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.33 1h3n h PRO 650 CO -0.52 0.61 -0.05 0.35 -0.21 0.00 0.00 178.00 178.18 1h3n h PHE 651 N 0.77 0.19 0.00 0.65 3.57 -1.29 -2.62 116.94 118.21 1h3n h PHE 651 Ca 0.19 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 1h3n h PHE 651 Cb 0.11 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1h3n h PHE 651 CO 0.01 0.57 -0.24 -0.39 -2.23 0.00 0.00 178.31 176.03 1h3n h VAL 652 N -0.24 0.77 -0.20 1.41 -1.51 -1.02 0.43 116.25 115.88 1h3n h VAL 652 Ca 0.01 -0.98 -0.08 0.00 -1.23 0.00 0.00 66.70 64.43 1h3n h VAL 652 Cb 0.53 1.60 -0.00 0.00 -2.13 0.00 0.00 31.29 31.29 1h3n h VAL 652 CO 0.01 0.23 -0.20 0.50 -1.23 0.00 0.00 177.57 176.89 1h3n h LYS 653 N 0.00 0.49 0.12 5.19 3.64 -1.42 -3.06 116.57 121.54 1h3n h LYS 653 Ca -0.00 -0.26 -0.29 0.00 -1.27 0.00 0.00 60.65 58.83 1h3n h LYS 653 Cb 0.58 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1h3n h LYS 653 CO 0.03 0.83 -1.35 1.49 -2.27 0.00 0.00 179.45 178.19 1h3n h GLU 654 N 0.17 0.26 0.00 1.90 4.81 -1.23 -3.45 114.58 117.04 1h3n h GLU 654 Ca 0.03 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1h3n h GLU 654 Cb 0.74 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.29 1h3n h GLU 654 CO 0.05 1.18 0.00 1.04 -0.73 0.00 0.00 179.01 180.55 1h3n n GLN 655 N -3.50 0.00 0.00 1.92 1.13 0.15 -5.11 117.38 111.97 1h3n n GLN 655 Ca -0.11 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.95 1h3n n GLN 655 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.38 1h3n n GLN 655 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1h3n n GLY 656 N 4.37 1.59 0.06 1.08 0.00 -1.16 -4.74 105.19 106.39 1h3n n GLY 656 Ca 0.00 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 1h3n n GLY 656 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h3n h ALA 657 N 0.00 0.01 -0.18 4.61 0.00 -1.81 -2.64 119.26 119.25 1h3n h ALA 657 Ca 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1h3n h ALA 657 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1h3n h ALA 657 CO 0.00 -0.23 -0.01 -0.44 0.00 0.00 0.00 179.25 178.56 1h3n h ASP 658 N -0.46 0.23 -0.42 0.00 3.32 -1.92 0.08 116.42 117.25 1h3n h ASP 658 Ca 0.00 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 1h3n h ASP 658 Cb 0.50 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 1h3n h ASP 658 CO 0.00 0.30 0.11 0.40 -1.72 0.00 0.00 179.24 178.33 1h3n h ILE 659 N 0.25 1.23 -0.54 0.35 2.04 -1.92 -0.73 117.51 118.19 1h3n h ILE 659 Ca 0.06 -0.77 -0.11 0.00 1.00 0.00 0.00 64.86 65.03 1h3n h ILE 659 Cb 0.20 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 1h3n h ILE 659 CO 0.01 0.27 -0.11 0.00 0.00 0.00 0.00 178.15 178.31 1h3n h ALA 660 N 0.96 0.78 -0.36 1.87 0.00 -1.00 -1.45 119.26 120.05 1h3n h ALA 660 Ca 0.13 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1h3n h ALA 660 Cb 0.30 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1h3n h ALA 660 CO -0.00 0.67 0.12 0.00 0.00 0.00 0.00 179.25 180.04 1h3n h ARG 661 N 0.90 0.56 -0.47 0.00 3.08 -0.77 -1.66 114.38 116.02 1h3n h ARG 661 Ca 0.14 -0.11 -0.14 0.00 0.07 0.00 0.00 59.98 59.94 1h3n h ARG 661 Cb 0.68 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1h3n h ARG 661 CO 0.05 0.57 -0.24 0.82 -1.07 0.00 0.00 179.97 180.10 1h3n h ILE 662 N 0.43 1.27 -0.47 2.04 1.08 -1.12 -0.87 117.51 119.87 1h3n h ILE 662 Ca 0.12 -1.40 0.05 0.00 -0.39 0.00 0.00 64.86 63.23 1h3n h ILE 662 Cb 0.23 1.15 -0.05 0.00 -3.07 0.00 0.00 36.82 35.09 1h3n h ILE 662 CO -0.01 0.48 0.21 0.74 -0.69 0.00 0.00 178.15 178.89 1h3n h THR 663 N 0.84 0.91 0.04 -0.27 2.02 -1.09 -0.59 112.91 114.78 1h3n h THR 663 Ca 0.10 -0.14 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 1h3n h THR 663 Cb 0.82 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1h3n h THR 663 CO 0.07 0.08 -0.02 0.40 0.37 0.00 0.00 175.52 176.42 1h3n h ILE 664 N 0.42 1.25 0.00 3.11 2.04 -1.15 -2.96 117.51 120.21 1h3n h ILE 664 Ca 0.21 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 1h3n h ILE 664 Cb 0.16 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1h3n h ILE 664 CO -0.18 0.25 -0.21 -0.07 0.00 0.00 0.00 178.15 177.94 1h3n h LEU 665 N -0.50 0.00 0.00 1.44 3.38 -1.02 -3.14 115.31 115.47 1h3n h LEU 665 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1h3n h LEU 665 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1h3n h LEU 665 CO 0.01 0.21 -1.19 0.33 0.09 0.00 0.00 178.44 177.89 1h3n n PHE 666 N -3.61 0.09 -0.24 1.13 7.35 -0.24 -2.33 117.46 119.61 1h3n n PHE 666 Ca -0.01 0.03 0.02 0.00 -0.76 0.00 0.00 57.45 56.73 1h3n n PHE 666 Cb 0.34 -0.27 0.14 0.00 0.35 0.00 0.00 39.48 40.05 1h3n n PHE 666 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1h3n h ALA 667 N 2.64 0.95 -1.91 3.13 0.00 -1.46 -3.47 119.26 119.14 1h3n h ALA 667 Ca 0.00 0.08 0.31 0.00 0.00 0.00 0.00 54.91 55.30 1h3n h ALA 667 Cb 0.68 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.40 1h3n h ALA 667 CO 0.00 -0.12 0.82 0.00 0.00 0.00 0.00 179.25 179.95 1h3n s ALA 668 N -6.06 -2.25 0.30 0.00 0.00 -1.26 -4.98 121.76 107.51 1h3n s ALA 668 Ca -0.13 0.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.79 1h3n s ALA 668 Cb 0.18 0.66 -0.12 0.00 0.00 0.00 0.00 23.12 23.84 1h3n s ALA 668 CO 0.76 -1.10 1.43 -2.30 0.00 0.00 0.00 175.76 174.55 1h3n n PRO 669 N -0.70 2.31 0.20 0.00 -0.02 -1.26 -4.57 135.00 130.96 1h3n n PRO 669 Ca -0.02 0.82 0.17 0.00 -2.02 0.00 0.00 63.50 62.44 1h3n n PRO 669 Cb 0.60 -2.50 0.81 0.00 -0.02 0.00 0.00 33.50 32.40 1h3n n PRO 669 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1h3n h PRO 670 N 3.76 0.00 0.00 0.52 0.13 -1.91 -0.72 132.00 133.78 1h3n h PRO 670 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1h3n h PRO 670 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1h3n h PRO 670 CO 0.72 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.54 1h3n h GLU 671 N 0.00 0.00 -6.74 0.86 9.09 -1.88 0.15 114.58 116.06 1h3n h GLU 671 Ca 0.09 0.00 -0.47 0.00 0.05 0.00 0.00 59.36 59.03 1h3n h GLU 671 Cb 0.45 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.58 1h3n h GLU 671 CO -0.00 0.00 -0.06 -0.80 0.05 0.00 0.00 179.01 178.20 1h3n s ASN 672 N -5.27 5.92 0.75 3.06 -0.87 -0.28 -3.08 114.94 115.18 1h3n s ASN 672 Ca 0.06 0.42 -0.11 0.00 -1.57 0.00 0.00 52.86 51.66 1h3n s ASN 672 Cb 0.09 -1.69 0.04 0.00 -0.02 0.00 0.00 41.25 39.67 1h3n s ASN 672 CO 0.57 -0.67 1.08 -1.61 -2.57 0.00 0.00 177.10 173.90 1h3n s GLU 673 N -4.58 2.47 0.05 -0.60 2.02 -1.26 -3.42 118.70 113.38 1h3n s GLU 673 Ca 0.48 0.71 -0.08 0.00 0.02 0.00 0.00 54.97 56.10 1h3n s GLU 673 Cb -0.10 -1.96 -0.00 0.00 0.10 0.00 0.00 34.13 32.17 1h3n s GLU 673 CO 0.39 -1.37 0.15 0.00 0.02 0.00 0.00 175.26 174.45 1h3n s MET 674 N -5.15 0.71 -0.16 1.61 0.23 -0.73 -4.89 119.30 110.93 1h3n s MET 674 Ca 0.59 -0.80 -0.01 0.00 -1.03 0.00 0.00 55.69 54.44 1h3n s MET 674 Cb -0.14 0.29 -0.01 0.00 -1.53 0.00 0.00 34.83 33.43 1h3n s MET 674 CO 0.54 -0.20 -0.10 0.08 -2.03 0.00 0.00 175.02 173.31 1h3n s VAL 675 N -3.06 3.19 -0.14 5.16 1.01 -1.26 0.43 120.40 125.73 1h3n s VAL 675 Ca -0.01 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 1h3n s VAL 675 Cb 0.01 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 1h3n s VAL 675 CO -0.07 0.50 1.23 0.86 0.00 0.00 0.00 175.10 177.62 1h3n s TRP 676 N 0.69 2.99 0.07 5.22 -0.11 0.10 -4.93 118.94 122.96 1h3n s TRP 676 Ca -0.05 1.10 -0.00 0.00 1.22 0.00 0.00 56.10 58.37 1h3n s TRP 676 Cb -0.15 -3.46 -0.04 0.00 -1.50 0.00 0.00 33.47 28.32 1h3n s TRP 676 CO 0.02 -1.50 -0.03 0.95 -4.62 0.00 0.00 176.95 171.77 1h3n s THR 677 N 3.07 0.30 0.25 5.86 -4.23 -1.26 -4.52 115.64 115.12 1h3n s THR 677 Ca 0.54 -1.84 -0.04 0.00 -1.18 0.00 0.00 61.69 59.17 1h3n s THR 677 Cb -0.22 -1.60 0.14 0.00 1.34 0.00 0.00 72.50 72.16 1h3n s THR 677 CO 0.16 -0.92 1.79 -0.08 -0.54 0.00 0.00 174.62 175.02 1h3n h GLU 678 N 3.09 0.98 -0.71 3.99 4.57 -1.99 -1.62 114.58 122.89 1h3n h GLU 678 Ca -0.34 -0.21 -0.00 0.00 -1.18 0.00 0.00 59.36 57.62 1h3n h GLU 678 Cb 1.15 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.56 1h3n h GLU 678 CO 0.65 0.86 0.43 0.93 -1.18 0.00 0.00 179.01 180.70 1h3n h GLU 679 N 0.94 0.96 -0.39 1.92 4.39 -1.98 0.15 114.58 120.56 1h3n h GLU 679 Ca 0.20 -0.08 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 1h3n h GLU 679 Cb 0.31 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1h3n h GLU 679 CO -0.00 0.68 -0.14 0.78 -1.16 0.00 0.00 179.01 179.17 1h3n h GLY 680 N 1.01 0.85 0.95 -3.84 0.00 -1.76 -0.93 103.07 99.35 1h3n h GLY 680 Ca 0.26 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 1h3n h GLY 680 CO -0.05 0.67 0.18 -2.08 0.00 0.00 0.00 176.54 175.26 1h3n h VAL 681 N 0.59 1.20 -0.47 4.60 2.07 -0.59 -1.28 116.25 122.37 1h3n h VAL 681 Ca 0.09 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 1h3n h VAL 681 Cb 0.67 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1h3n h VAL 681 CO 0.05 0.23 0.20 1.56 0.02 0.00 0.00 177.57 179.62 1h3n h GLN 682 N 0.56 0.67 -0.58 1.57 4.20 -0.64 -1.73 115.11 119.16 1h3n h GLN 682 Ca 0.15 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 1h3n h GLN 682 Cb 0.18 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1h3n h GLN 682 CO -0.01 0.55 -0.00 0.78 -0.67 0.00 0.00 178.83 179.47 1h3n h GLY 683 N 0.81 1.10 0.93 3.46 0.00 -0.60 -1.30 103.07 107.47 1h3n h GLY 683 Ca 0.16 -0.80 -0.02 0.00 0.00 0.00 0.00 47.33 46.68 1h3n h GLY 683 CO -0.02 0.73 0.14 0.00 0.00 0.00 0.00 176.54 177.40 1h3n h ALA 684 N 1.05 0.45 -0.12 3.60 0.00 -0.56 -2.15 119.26 121.53 1h3n h ALA 684 Ca 0.17 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1h3n h ALA 684 Cb 0.54 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1h3n h ALA 684 CO 0.03 0.05 -0.07 -1.49 0.00 0.00 0.00 179.25 177.77 1h3n h TRP 685 N 0.42 -0.17 -0.81 0.00 4.06 -1.13 -1.29 115.95 117.03 1h3n h TRP 685 Ca 0.12 0.01 0.09 0.00 2.06 0.00 0.00 58.89 61.17 1h3n h TRP 685 Cb 0.17 0.09 -0.07 0.00 -1.00 0.00 0.00 29.16 28.36 1h3n h TRP 685 CO -0.01 -0.11 0.46 0.00 -3.56 0.00 0.00 178.44 175.22 1h3n h ARG 686 N -0.07 0.75 0.02 0.49 3.08 -1.04 0.10 114.38 117.72 1h3n h ARG 686 Ca 0.07 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1h3n h ARG 686 Cb 0.17 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1h3n h ARG 686 CO -0.16 0.50 -0.01 0.35 -1.07 0.00 0.00 179.97 179.57 1h3n h PHE 687 N 0.78 -0.03 -0.78 3.04 3.57 -1.05 -1.83 116.94 120.64 1h3n h PHE 687 Ca 0.39 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.85 1h3n h PHE 687 Cb 0.36 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 1h3n h PHE 687 CO -0.06 0.34 0.33 -0.07 -2.23 0.00 0.00 178.31 176.61 1h3n h LEU 688 N -0.40 1.06 -0.95 0.59 3.38 -0.98 -1.78 115.31 116.23 1h3n h LEU 688 Ca -0.00 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1h3n h LEU 688 Cb 0.38 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1h3n h LEU 688 CO 0.01 0.94 0.39 0.78 0.09 0.00 0.00 178.44 180.64 1h3n h ASN 689 N 1.12 1.03 0.09 -0.43 2.35 -0.81 -1.71 115.58 117.23 1h3n h ASN 689 Ca 0.26 -0.11 -0.11 0.00 -0.55 0.00 0.00 56.30 55.79 1h3n h ASN 689 Cb 0.20 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1h3n h ASN 689 CO -0.02 0.86 -0.38 -0.09 -1.65 0.00 0.00 177.43 176.15 1h3n h ARG 690 N 1.13 0.39 0.04 0.81 2.43 -0.85 -0.65 114.38 117.67 1h3n h ARG 690 Ca 0.28 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1h3n h ARG 690 Cb 0.10 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 1h3n h ARG 690 CO -0.04 0.71 -0.02 0.82 -1.51 0.00 0.00 179.97 179.93 1h3n h ILE 691 N 0.33 1.27 -0.30 1.20 2.04 -1.02 -2.73 117.51 118.30 1h3n h ILE 691 Ca 0.03 -1.01 0.04 0.00 1.00 0.00 0.00 64.86 64.93 1h3n h ILE 691 Cb 0.81 1.94 -0.04 0.00 -0.74 0.00 0.00 36.82 38.79 1h3n h ILE 691 CO 0.07 0.25 0.06 0.22 0.00 0.00 0.00 178.15 178.75 1h3n h TYR 692 N -0.49 0.10 -1.00 1.37 5.03 -1.23 -2.53 116.97 118.22 1h3n h TYR 692 Ca -0.00 0.02 0.07 0.00 2.58 0.00 0.00 58.73 61.39 1h3n h TYR 692 Cb 0.45 -0.00 -0.07 0.00 1.55 0.00 0.00 36.73 38.66 1h3n h TYR 692 CO 0.08 0.02 0.64 -0.09 -1.32 0.00 0.00 178.16 177.49 1h3n h ARG 693 N 0.17 1.11 -0.38 1.82 2.43 -1.15 0.91 114.38 119.29 1h3n h ARG 693 Ca 0.14 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 1h3n h ARG 693 Cb 0.14 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 1h3n h ARG 693 CO -0.18 0.74 0.01 -0.09 -1.51 0.00 0.00 179.97 178.93 1h3n h ARG 694 N 1.15 0.66 -0.17 0.20 9.65 -1.17 -1.39 114.38 123.30 1h3n h ARG 694 Ca 0.44 -0.21 -0.16 0.00 -1.10 0.00 0.00 59.98 58.95 1h3n h ARG 694 Cb 0.21 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.73 1h3n h ARG 694 CO -0.18 0.76 -0.50 0.28 2.80 0.00 0.00 179.97 183.13 1h3n h VAL 695 N 0.48 1.33 -0.86 0.20 2.07 -1.04 -3.03 116.25 115.39 1h3n h VAL 695 Ca 0.11 -1.75 -0.03 0.00 0.82 0.00 0.00 66.70 65.85 1h3n h VAL 695 Cb 0.46 1.95 -0.04 0.00 -1.52 0.00 0.00 31.29 32.14 1h3n h VAL 695 CO 0.02 0.54 0.42 0.00 0.02 0.00 0.00 177.57 178.57 1h3n h ALA 696 N 0.56 1.11 -0.81 1.67 0.00 -0.83 0.86 119.26 121.83 1h3n h ALA 696 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1h3n h ALA 696 Cb 1.12 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 1h3n h ALA 696 CO 0.11 0.67 0.51 1.49 0.00 0.00 0.00 179.25 182.02 1h3n h GLU 697 N 1.23 1.08 -0.57 0.00 4.57 -1.27 -2.90 114.58 116.72 1h3n h GLU 697 Ca 0.30 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 1h3n h GLU 697 Cb 0.10 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 1h3n h GLU 697 CO -0.04 0.73 0.00 -0.25 -1.18 0.00 0.00 179.01 178.27 1h3n n ASP 698 N -4.39 3.61 -0.06 1.04 8.00 -0.94 -4.67 116.55 119.15 1h3n n ASP 698 Ca 0.09 -1.98 -0.08 0.00 0.71 0.00 0.00 54.79 53.53 1h3n n ASP 698 Cb 0.05 -0.38 -0.01 0.00 -0.02 0.00 0.00 41.12 40.76 1h3n n ASP 698 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1h3n h ARG 699 N 3.87 -0.16 -0.11 -1.24 2.43 -0.62 0.16 114.38 118.71 1h3n h ARG 699 Ca 0.00 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1h3n h ARG 699 Cb 0.93 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 1h3n h ARG 699 CO 0.00 -0.11 0.03 1.49 -1.51 0.00 0.00 179.97 179.87 1h3n h GLU 700 N -0.17 0.08 -0.58 0.20 4.81 -1.83 -1.64 114.58 115.46 1h3n h GLU 700 Ca 0.14 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1h3n h GLU 700 Cb 0.39 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1h3n h GLU 700 CO -0.36 0.05 0.13 0.00 -0.73 0.00 0.00 179.01 178.10 1h3n h ALA 701 N 1.07 0.76 -0.97 2.92 0.00 -1.82 -2.90 119.26 118.32 1h3n h ALA 701 Ca 0.04 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.77 1h3n h ALA 701 Cb 0.03 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 1h3n h ALA 701 CO -0.05 0.48 0.63 -0.07 0.00 0.00 0.00 179.25 180.24 1h3n h LEU 702 N 0.84 1.03 -1.62 0.00 3.38 -0.46 -2.11 115.31 116.38 1h3n h LEU 702 Ca 0.18 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1h3n h LEU 702 Cb 0.37 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1h3n h LEU 702 CO 0.00 0.69 0.11 -0.07 0.09 0.00 0.00 178.44 179.27 1h3n h LEU 703 N 1.19 0.32 -1.97 1.67 3.38 -1.10 -2.16 115.31 116.64 1h3n h LEU 703 Ca 0.40 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1h3n h LEU 703 Cb 0.05 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1h3n h LEU 703 CO -0.14 0.29 0.00 -1.84 0.09 0.00 0.00 178.44 176.84 1h3n n GLU 704 N -4.43 2.32 -4.51 1.13 0.28 -0.81 -4.91 120.64 109.71 1h3n n GLU 704 Ca 0.01 -1.88 -0.30 0.00 -0.16 0.00 0.00 57.16 54.83 1h3n n GLU 704 Cb 0.12 -1.45 -0.13 0.00 1.43 0.00 0.00 31.44 31.41 1h3n n GLU 704 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 1h3n s THR 705 N -1.39 2.50 0.19 3.84 2.01 -0.81 -5.10 115.64 116.89 1h3n s THR 705 Ca 0.35 -1.51 -0.02 0.00 0.31 0.00 0.00 61.69 60.82 1h3n s THR 705 Cb 0.19 -2.09 -0.05 0.00 0.01 0.00 0.00 72.50 70.57 1h3n s THR 705 CO 0.22 0.19 0.40 -0.55 -0.69 0.00 0.00 174.62 174.19 1h3n s SER 706 N -1.82 6.41 0.00 3.53 0.15 -1.26 -4.96 113.70 115.75 1h3n s SER 706 Ca 0.15 0.46 0.24 0.00 0.70 0.00 0.00 55.95 57.50 1h3n s SER 706 Cb -0.10 -2.04 0.66 0.00 -1.71 0.00 0.00 66.02 62.83 1h3n s SER 706 CO 0.06 -0.03 1.52 0.61 1.20 0.00 0.00 173.24 176.60 1h3n n GLY 707 N -0.50 0.63 3.74 9.45 0.00 -1.26 -3.96 105.19 113.29 1h3n n GLY 707 Ca -0.04 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 1h3n n GLY 707 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1h3n s VAL 708 N -1.83 4.56 0.14 1.61 1.01 -1.26 -4.66 120.40 119.97 1h3n s VAL 708 Ca 0.34 1.91 -0.25 0.00 0.00 0.00 0.00 61.98 63.98 1h3n s VAL 708 Cb 0.20 -4.25 0.06 0.00 0.00 0.00 0.00 36.38 32.40 1h3n s VAL 708 CO 0.30 0.35 0.89 0.72 0.00 0.00 0.00 175.10 177.36 1h3n s PHE 709 N -0.10 -0.20 -0.31 5.22 -0.71 -1.26 -4.84 117.98 115.78 1h3n s PHE 709 Ca 0.43 -0.09 -0.07 0.00 -1.04 0.00 0.00 56.93 56.17 1h3n s PHE 709 Cb -0.22 0.63 0.02 0.00 -1.21 0.00 0.00 43.02 42.23 1h3n s PHE 709 CO 0.27 -0.83 0.09 -0.65 -1.34 0.00 0.00 175.22 172.76 1h3n s GLN 710 N -3.37 2.95 0.24 1.99 1.11 -1.26 -5.00 119.66 116.32 1h3n s GLN 710 Ca 0.10 -0.96 -0.05 0.00 0.01 0.00 0.00 55.36 54.46 1h3n s GLN 710 Cb -0.02 -3.41 0.42 0.00 -1.01 0.00 0.00 33.01 28.99 1h3n s GLN 710 CO -0.00 -0.52 1.73 0.00 0.01 0.00 0.00 175.29 176.52 1h3n h ALA 711 N 8.24 1.01 0.00 6.09 0.00 -2.00 -0.34 119.26 132.25 1h3n h ALA 711 Ca -0.29 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1h3n h ALA 711 Cb 1.11 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1h3n h ALA 711 CO 0.61 -0.20 0.00 0.39 0.00 0.00 0.00 179.25 180.05 1h3n n GLU 712 N -4.99 0.01 0.00 0.00 1.02 -1.26 -1.72 120.64 113.70 1h3n n GLU 712 Ca 0.13 0.30 0.12 0.00 -0.02 0.00 0.00 57.16 57.69 1h3n n GLU 712 Cb 0.38 -1.50 0.10 0.00 -0.02 0.00 0.00 31.44 30.41 1h3n n GLU 712 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1h3n n ALA 713 N -1.49 2.76 -1.79 0.62 0.00 -0.14 -4.96 120.51 115.51 1h3n n ALA 713 Ca 0.03 -0.66 -0.34 0.00 0.00 0.00 0.00 53.44 52.47 1h3n n ALA 713 Cb 0.13 -0.83 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 1h3n n ALA 713 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1h3n s LEU 714 N -2.13 3.89 0.11 0.00 1.43 -0.70 -5.04 118.68 116.24 1h3n s LEU 714 Ca 0.26 1.96 -0.04 0.00 -1.03 0.00 0.00 54.13 55.28 1h3n s LEU 714 Cb 0.20 -4.50 -0.03 0.00 0.03 0.00 0.00 46.19 41.89 1h3n s LEU 714 CO 0.38 -0.76 0.11 -1.83 0.23 0.00 0.00 176.35 174.48 1h3n s GLU 715 N -3.12 0.89 4.61 1.70 -1.05 -1.26 -4.65 118.70 115.82 1h3n s GLU 715 Ca 0.66 -1.26 0.00 0.00 -0.15 0.00 0.00 54.97 54.22 1h3n s GLU 715 Cb -0.18 0.28 0.00 0.00 -0.44 0.00 0.00 34.13 33.79 1h3n s GLU 715 CO 0.21 -0.26 0.00 0.41 0.95 0.00 0.00 175.26 176.57 1h3n n GLY 716 N -0.07 2.88 0.26 -3.83 0.00 -1.26 -1.94 105.19 101.22 1h3n n GLY 716 Ca -0.09 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 45.85 1h3n n GLY 716 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1h3n h LYS 717 N 0.00 0.00 -0.36 1.61 1.79 -1.99 -1.87 116.57 115.76 1h3n h LYS 717 Ca 0.00 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 1h3n h LYS 717 Cb 0.00 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1h3n h LYS 717 CO 0.00 0.08 0.08 -0.44 -1.08 0.00 0.00 179.45 178.08 1h3n h ASP 718 N 0.00 0.55 -0.13 0.86 3.32 -1.79 0.77 116.42 120.00 1h3n h ASP 718 Ca -0.00 -0.24 -0.11 0.00 0.02 0.00 0.00 57.03 56.69 1h3n h ASP 718 Cb 0.15 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1h3n h ASP 718 CO 0.01 0.65 -0.29 -0.09 -1.72 0.00 0.00 179.24 177.80 1h3n h ARG 719 N 0.42 0.61 -0.19 3.56 2.43 -1.28 -1.97 114.38 117.96 1h3n h ARG 719 Ca 0.11 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 1h3n h ARG 719 Cb 0.32 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1h3n h ARG 719 CO 0.00 0.83 0.06 1.49 -1.51 0.00 0.00 179.97 180.84 1h3n h GLU 720 N 0.52 0.30 -0.86 0.20 4.81 -1.10 -2.15 114.58 116.31 1h3n h GLU 720 Ca 0.07 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1h3n h GLU 720 Cb 0.76 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.06 1h3n h GLU 720 CO 0.06 0.41 0.56 1.25 -0.73 0.00 0.00 179.01 180.57 1h3n h LEU 721 N 0.14 0.99 -0.99 1.64 5.85 -0.70 -1.46 115.31 120.78 1h3n h LEU 721 Ca 0.06 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.79 1h3n h LEU 721 Cb 0.23 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 1h3n h LEU 721 CO -0.00 0.73 0.65 0.22 -0.34 0.00 0.00 178.44 179.69 1h3n h TYR 722 N 1.17 1.21 -0.34 1.25 3.20 -1.14 0.12 116.97 122.44 1h3n h TYR 722 Ca 0.31 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 62.12 1h3n h TYR 722 Cb -0.13 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 37.73 1h3n h TYR 722 CO -0.01 0.69 -0.15 0.78 -1.64 0.00 0.00 178.16 177.83 1h3n h GLY 723 N 1.24 0.75 1.44 1.82 0.00 -0.71 -2.71 103.07 104.90 1h3n h GLY 723 Ca 0.40 -0.67 -0.08 0.00 0.00 0.00 0.00 47.33 46.99 1h3n h GLY 723 CO -0.13 0.61 -0.06 0.50 0.00 0.00 0.00 176.54 177.45 1h3n h LYS 724 N 0.47 0.68 -0.03 4.80 1.57 -0.82 -0.72 116.57 122.53 1h3n h LYS 724 Ca 0.08 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1h3n h LYS 724 Cb 0.68 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 1h3n h LYS 724 CO 0.05 0.74 -0.00 1.25 -0.57 0.00 0.00 179.45 180.92 1h3n h LEU 725 N 0.63 -0.01 -0.71 2.94 5.85 -0.66 0.10 115.31 123.45 1h3n h LEU 725 Ca 0.12 0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.71 1h3n h LEU 725 Cb 0.49 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1h3n h LEU 725 CO 0.03 -0.00 -0.64 0.45 -0.34 0.00 0.00 178.44 177.94 1h3n h HIS 726 N 0.01 0.05 -0.69 1.25 3.86 -1.30 -0.55 115.15 117.78 1h3n h HIS 726 Ca 0.01 -0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.14 1h3n h HIS 726 Cb 0.01 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.45 1h3n h HIS 726 CO -0.09 0.66 0.18 0.93 0.86 0.00 0.00 177.93 180.48 1h3n h GLU 727 N 0.03 1.08 -0.26 2.45 5.08 -0.93 -1.24 114.58 120.78 1h3n h GLU 727 Ca -0.01 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.06 1h3n h GLU 727 Cb 1.13 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1h3n h GLU 727 CO 0.09 0.95 -0.04 1.15 -1.00 0.00 0.00 179.01 180.15 1h3n h THR 728 N 1.04 1.27 -0.42 1.13 2.02 -0.64 -2.25 112.91 115.05 1h3n h THR 728 Ca 0.22 -1.01 0.05 0.00 0.77 0.00 0.00 66.41 66.44 1h3n h THR 728 Cb 0.34 1.40 -0.05 0.00 -1.74 0.00 0.00 68.15 68.10 1h3n h THR 728 CO -0.00 0.32 0.15 0.25 0.37 0.00 0.00 175.52 176.61 1h3n h LEU 729 N 0.25 0.15 -0.38 2.58 5.85 -0.81 0.39 115.31 123.35 1h3n h LEU 729 Ca 0.07 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1h3n h LEU 729 Cb 0.49 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1h3n h LEU 729 CO 0.02 0.12 0.24 0.50 -0.34 0.00 0.00 178.44 178.99 1h3n h LYS 730 N 0.31 0.50 -0.01 1.25 3.64 -1.19 -0.19 116.57 120.88 1h3n h LYS 730 Ca 0.20 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1h3n h LYS 730 Cb 0.19 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1h3n h LYS 730 CO -0.20 0.34 0.01 -0.22 -2.27 0.00 0.00 179.45 177.11 1h3n h LYS 731 N 0.50 0.02 -0.71 1.90 1.63 -0.89 -1.64 116.57 117.38 1h3n h LYS 731 Ca 0.14 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.90 1h3n h LYS 731 Cb -0.04 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.55 1h3n h LYS 731 CO -0.03 0.10 0.32 0.28 -3.45 0.00 0.00 179.45 176.67 1h3n h VAL 732 N -0.07 1.24 -0.24 2.00 2.07 -0.82 -0.57 116.25 119.86 1h3n h VAL 732 Ca 0.00 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.81 1h3n h VAL 732 Cb 0.09 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1h3n h VAL 732 CO -0.00 0.29 0.07 0.74 0.02 0.00 0.00 177.57 178.69 1h3n h THR 733 N 1.00 1.19 -0.21 2.57 2.02 -0.93 -0.94 112.91 117.61 1h3n h THR 733 Ca 0.24 -0.62 -0.12 0.00 0.77 0.00 0.00 66.41 66.69 1h3n h THR 733 Cb 0.15 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1h3n h THR 733 CO -0.03 0.20 -0.37 -0.33 0.37 0.00 0.00 175.52 175.36 1h3n h GLU 734 N 0.21 0.45 -0.55 6.66 5.08 -1.20 -2.20 114.58 123.03 1h3n h GLU 734 Ca 0.08 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.12 1h3n h GLU 734 Cb 0.24 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 1h3n h GLU 734 CO -0.00 0.76 -0.08 -0.44 -1.00 0.00 0.00 179.01 178.25 1h3n h ASP 735 N 0.38 1.02 -0.66 1.42 5.19 -0.97 -2.48 116.42 120.32 1h3n h ASP 735 Ca 0.04 -0.34 -0.04 0.00 -0.62 0.00 0.00 57.03 56.07 1h3n h ASP 735 Cb 0.82 -0.28 -0.03 0.00 0.18 0.00 0.00 39.33 40.03 1h3n h ASP 735 CO 0.07 1.12 0.25 -0.07 -3.12 0.00 0.00 179.24 177.49 1h3n h LEU 736 N 0.91 0.92 -1.57 1.55 3.38 -0.96 0.36 115.31 119.89 1h3n h LEU 736 Ca 0.15 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1h3n h LEU 736 Cb 0.64 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1h3n h LEU 736 CO 0.04 0.85 -0.16 -0.33 0.09 0.00 0.00 178.44 178.93 1h3n h GLU 737 N 0.94 0.07 -0.50 1.13 5.08 -1.24 -2.26 114.58 117.80 1h3n h GLU 737 Ca 0.22 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1h3n h GLU 737 Cb 0.23 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1h3n h GLU 737 CO -0.02 0.24 0.00 0.00 -1.00 0.00 0.00 179.01 178.23 1h3n n ALA 738 N -2.50 2.41 -3.23 3.43 0.00 -0.95 -4.95 120.51 114.72 1h3n n ALA 738 Ca -0.02 -1.06 -0.23 0.00 0.00 0.00 0.00 53.44 52.13 1h3n n ALA 738 Cb 0.25 -0.91 0.05 0.00 0.00 0.00 0.00 19.45 18.84 1h3n n ALA 738 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1h3n n LEU 739 N 1.47 -2.97 -3.74 0.00 4.32 -0.38 -4.90 117.00 110.79 1h3n n LEU 739 Ca 0.21 -0.38 -0.42 0.00 -0.02 0.00 0.00 56.01 55.40 1h3n n LEU 739 Cb 0.59 -3.01 0.01 0.00 -1.62 0.00 0.00 43.42 39.39 1h3n n LEU 739 CO 0.16 0.39 1.44 0.54 -1.22 0.00 0.00 177.39 178.70 1h3n n ARG 740 N -4.40 5.05 -0.27 3.23 1.74 0.11 -4.63 116.66 117.48 1h3n n ARG 740 Ca -0.07 -4.51 -0.03 0.00 -0.77 0.00 0.00 57.85 52.48 1h3n n ARG 740 Cb 0.60 -2.51 0.09 0.00 -1.02 0.00 0.00 32.46 29.62 1h3n n ARG 740 CO 0.00 0.00 0.00 0.74 -1.52 0.00 0.00 177.63 176.85 1h3n h PHE 741 N 4.65 0.91 -0.79 -1.55 0.04 -1.87 -2.25 116.94 116.08 1h3n h PHE 741 Ca 0.45 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 61.20 1h3n h PHE 741 Cb 0.41 -0.30 -0.04 0.00 2.20 0.00 0.00 35.95 38.23 1h3n h PHE 741 CO 1.26 0.52 0.35 -2.95 -0.60 0.00 0.00 178.31 176.90 1h3n h ASN 742 N 0.95 1.06 0.97 2.17 -1.07 -1.71 -1.96 115.58 115.98 1h3n h ASN 742 Ca 0.30 -0.14 -0.10 0.00 0.07 0.00 0.00 56.30 56.44 1h3n h ASN 742 Cb 0.01 -0.27 -0.01 0.00 -2.07 0.00 0.00 38.32 35.97 1h3n h ASN 742 CO -0.11 0.91 -0.47 0.71 0.07 0.00 0.00 177.43 178.55 1h3n h THR 743 N 1.14 0.99 -0.51 6.14 1.35 -1.81 -1.67 112.91 118.54 1h3n h THR 743 Ca 0.27 -1.85 -0.12 0.00 -0.55 0.00 0.00 66.41 64.16 1h3n h THR 743 Cb 0.16 2.11 -0.02 0.00 -1.73 0.00 0.00 68.15 68.68 1h3n h THR 743 CO -0.03 0.46 -0.14 0.00 -0.25 0.00 0.00 175.52 175.56 1h3n h ALA 744 N 1.53 0.79 -0.46 6.62 0.00 -0.93 -1.36 119.26 125.45 1h3n h ALA 744 Ca -0.00 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 1h3n h ALA 744 Cb 1.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1h3n h ALA 744 CO 0.06 0.66 -0.19 0.82 0.00 0.00 0.00 179.25 180.60 1h3n h ILE 745 N 0.86 1.27 -0.87 0.00 2.04 -1.16 -2.23 117.51 117.41 1h3n h ILE 745 Ca 0.13 -1.33 0.01 0.00 1.00 0.00 0.00 64.86 64.67 1h3n h ILE 745 Cb 0.70 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 1h3n h ILE 745 CO 0.05 0.46 0.58 0.00 0.00 0.00 0.00 178.15 179.24 1h3n h ALA 746 N 0.97 1.39 -0.49 1.87 0.00 -0.99 0.12 119.26 122.13 1h3n h ALA 746 Ca 0.11 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1h3n h ALA 746 Cb 0.74 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1h3n h ALA 746 CO 0.06 0.55 -0.00 0.00 0.00 0.00 0.00 179.25 179.86 1h3n h ALA 747 N 1.46 1.08 -0.17 0.00 0.00 -0.84 -0.58 119.26 120.22 1h3n h ALA 747 Ca 0.33 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 1h3n h ALA 747 Cb -0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1h3n h ALA 747 CO -0.08 0.58 -0.54 -0.07 0.00 0.00 0.00 179.25 179.14 1h3n h LEU 748 N 0.76 0.55 -0.46 0.00 3.38 -0.72 -0.42 115.31 118.39 1h3n h LEU 748 Ca 0.15 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1h3n h LEU 748 Cb 0.46 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1h3n h LEU 748 CO 0.02 0.98 0.08 0.24 0.09 0.00 0.00 178.44 179.86 1h3n h MET 749 N 0.39 0.76 -0.39 1.13 2.86 -0.68 0.26 114.93 119.26 1h3n h MET 749 Ca 0.01 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 1h3n h MET 749 Cb 1.07 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.62 1h3n h MET 749 CO 0.10 0.78 0.15 1.49 1.06 0.00 0.00 176.91 180.49 1h3n h GLU 750 N 0.63 0.58 -0.05 1.72 4.57 -0.98 -2.01 114.58 119.05 1h3n h GLU 750 Ca 0.14 -0.11 -0.10 0.00 -1.18 0.00 0.00 59.36 58.11 1h3n h GLU 750 Cb 0.38 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.86 1h3n h GLU 750 CO 0.01 0.56 -0.43 0.35 -1.18 0.00 0.00 179.01 178.32 1h3n h PHE 751 N 0.48 0.12 -0.76 0.92 3.57 -0.92 -2.26 116.94 118.10 1h3n h PHE 751 Ca 0.13 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 1h3n h PHE 751 Cb 0.20 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 1h3n h PHE 751 CO -0.00 0.52 0.29 1.25 -2.23 0.00 0.00 178.31 178.14 1h3n h LEU 752 N 0.09 1.06 -1.32 0.59 5.85 -0.64 -1.05 115.31 119.89 1h3n h LEU 752 Ca 0.01 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 1h3n h LEU 752 Cb 0.79 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1h3n h LEU 752 CO 0.06 0.95 0.21 0.78 -0.34 0.00 0.00 178.44 180.10 1h3n h ASN 753 N 1.11 0.61 0.09 1.25 2.35 -0.93 -1.55 115.58 118.51 1h3n h ASN 753 Ca 0.25 -0.06 -0.08 0.00 -0.55 0.00 0.00 56.30 55.86 1h3n h ASN 753 Cb 0.23 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1h3n h ASN 753 CO -0.02 0.54 -0.26 0.00 -1.65 0.00 0.00 177.43 176.05 1h3n h ALA 754 N 1.56 1.28 -0.35 -0.83 0.00 -0.69 -0.65 119.26 119.59 1h3n h ALA 754 Ca 0.17 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1h3n h ALA 754 Cb 0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1h3n h ALA 754 CO -0.02 0.48 -0.25 -0.07 0.00 0.00 0.00 179.25 179.39 1h3n h LEU 755 N 0.25 0.82 -0.44 0.00 3.38 -0.28 0.51 115.31 119.56 1h3n h LEU 755 Ca 0.04 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 1h3n h LEU 755 Cb 0.59 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1h3n h LEU 755 CO 0.04 1.09 0.16 1.88 0.09 0.00 0.00 178.44 181.70 1h3n h TYR 756 N 0.56 0.69 -0.59 1.13 0.05 -1.04 -1.78 116.97 115.98 1h3n h TYR 756 Ca 0.07 -0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1h3n h TYR 756 Cb 0.82 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 38.33 1h3n h TYR 756 CO 0.06 0.61 0.33 0.93 -1.05 0.00 0.00 178.16 179.04 1h3n h GLU 757 N 0.57 0.83 -0.27 4.88 4.39 -1.02 -2.85 114.58 121.11 1h3n h GLU 757 Ca 0.14 -0.10 0.04 0.00 0.34 0.00 0.00 59.36 59.79 1h3n h GLU 757 Cb 0.23 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 1h3n h GLU 757 CO -0.01 0.63 0.04 -0.92 -1.16 0.00 0.00 179.01 177.60 1h3n h TYR 758 N 0.80 0.07 0.00 4.33 3.20 -0.67 -2.38 116.97 122.33 1h3n h TYR 758 Ca 0.21 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.10 1h3n h TYR 758 Cb 0.04 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.32 1h3n h TYR 758 CO -0.01 0.01 0.00 0.54 -1.64 0.00 0.00 178.16 177.06 1h3n n ARG 759 N -5.10 0.13 0.07 1.82 5.12 -0.69 -0.67 116.66 117.34 1h3n n ARG 759 Ca -0.01 0.46 -0.03 0.00 -1.93 0.00 0.00 57.85 56.34 1h3n n ARG 759 Cb 0.12 -1.80 0.19 0.00 -1.16 0.00 0.00 32.46 29.82 1h3n n ARG 759 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 1h3n h LYS 760 N 0.00 0.32 0.00 5.56 1.57 -1.26 -3.35 116.57 119.42 1h3n h LYS 760 Ca 0.00 -0.15 -0.29 0.00 -1.87 0.00 0.00 60.65 58.33 1h3n h LYS 760 Cb 0.21 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.47 1h3n h LYS 760 CO 0.00 0.68 -2.11 -0.25 -0.57 0.00 0.00 179.45 177.20 1h3n n ASP 761 N -4.03 1.92 -4.61 0.86 8.00 -0.78 -5.04 116.55 112.87 1h3n n ASP 761 Ca -0.01 -0.06 -0.26 0.00 0.71 0.00 0.00 54.79 55.16 1h3n n ASP 761 Cb 0.49 0.18 -0.09 0.00 -0.02 0.00 0.00 41.12 41.68 1h3n n ASP 761 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1h3n s ARG 762 N -2.39 2.20 0.72 -1.24 1.81 0.16 -5.14 118.95 115.07 1h3n s ARG 762 Ca -0.19 -1.23 -0.06 0.00 -1.72 0.00 0.00 55.73 52.54 1h3n s ARG 762 Cb 0.06 -2.23 0.15 0.00 -0.45 0.00 0.00 34.95 32.48 1h3n s ARG 762 CO 0.53 0.44 0.98 -0.35 -0.68 0.00 0.00 175.30 176.22 1h3n n PRO 763 N -0.10 -0.45 -2.09 3.54 -0.04 -1.26 -4.23 135.00 130.36 1h3n n PRO 763 Ca -0.10 -2.13 -0.43 0.00 -0.04 0.00 0.00 63.50 60.80 1h3n n PRO 763 Cb 0.56 -0.82 -0.03 0.00 -0.04 0.00 0.00 33.50 33.18 1h3n n PRO 763 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1h3n s VAL 764 N -2.99 3.58 0.43 0.52 1.01 -1.26 -4.94 120.40 116.75 1h3n s VAL 764 Ca 0.61 0.58 0.07 0.00 0.00 0.00 0.00 61.98 63.23 1h3n s VAL 764 Cb -0.03 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 1h3n s VAL 764 CO 0.41 -0.52 0.18 0.42 0.00 0.00 0.00 175.10 175.59 1h3n s THR 765 N 6.59 2.20 0.20 3.92 -4.23 -1.26 -4.96 115.64 118.10 1h3n s THR 765 Ca 0.74 -1.71 -0.10 0.00 -1.18 0.00 0.00 61.69 59.45 1h3n s THR 765 Cb -0.20 -2.90 0.13 0.00 1.34 0.00 0.00 72.50 70.87 1h3n s THR 765 CO 0.33 0.00 1.81 -0.65 -0.54 0.00 0.00 174.62 175.57 1h3n h PRO 766 N 1.39 0.66 -0.56 3.99 0.11 -1.89 0.19 132.00 135.89 1h3n h PRO 766 Ca -0.42 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 1h3n h PRO 766 Cb 1.26 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1h3n h PRO 766 CO 0.70 0.43 0.13 -0.24 -0.21 0.00 0.00 178.00 178.81 1h3n h VAL 767 N 0.68 1.23 -0.52 3.15 3.04 -1.85 -0.82 116.25 121.16 1h3n h VAL 767 Ca 0.28 -0.85 -0.07 0.00 -1.01 0.00 0.00 66.70 65.04 1h3n h VAL 767 Cb 0.14 0.67 -0.02 0.00 -2.01 0.00 0.00 31.29 30.06 1h3n h VAL 767 CO -0.16 0.32 0.03 0.22 -1.01 0.00 0.00 177.57 176.97 1h3n h TYR 768 N 0.83 0.96 -0.84 3.17 3.20 -1.62 -0.41 116.97 122.26 1h3n h TYR 768 Ca 0.18 -0.16 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1h3n h TYR 768 Cb 0.31 -0.26 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 1h3n h TYR 768 CO 0.02 0.89 0.44 -0.09 -1.64 0.00 0.00 178.16 177.78 1h3n h ARG 769 N 0.77 1.18 -0.38 1.82 2.43 -0.13 -0.61 114.38 119.45 1h3n h ARG 769 Ca 0.15 -0.14 -0.10 0.00 -0.81 0.00 0.00 59.98 59.08 1h3n h ARG 769 Cb 0.48 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1h3n h ARG 769 CO 0.02 0.87 -0.16 1.15 -1.51 0.00 0.00 179.97 180.35 1h3n h THR 770 N 1.18 1.26 -0.53 0.20 2.02 -0.79 -0.56 112.91 115.69 1h3n h THR 770 Ca 0.29 -1.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.24 1h3n h THR 770 Cb 0.05 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 1h3n h THR 770 CO -0.04 0.40 0.20 0.00 0.37 0.00 0.00 175.52 176.45 1h3n h ALA 771 N 1.19 0.69 -0.47 6.16 0.00 -0.32 0.05 119.26 126.56 1h3n h ALA 771 Ca 0.10 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1h3n h ALA 771 Cb 0.62 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1h3n h ALA 771 CO 0.04 0.31 0.26 0.82 0.00 0.00 0.00 179.25 180.68 1h3n h ILE 772 N 0.71 1.17 -0.03 0.00 1.08 -0.80 0.88 117.51 120.53 1h3n h ILE 772 Ca 0.17 -0.43 0.03 0.00 -0.39 0.00 0.00 64.86 64.24 1h3n h ILE 772 Cb 0.22 0.59 -0.03 0.00 -3.07 0.00 0.00 36.82 34.52 1h3n h ILE 772 CO -0.01 0.18 -0.13 -0.09 -0.69 0.00 0.00 178.15 177.40 1h3n h ARG 773 N 0.62 -0.20 -0.50 2.37 2.43 -0.66 -1.56 114.38 116.88 1h3n h ARG 773 Ca 0.17 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 1h3n h ARG 773 Cb 0.05 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1h3n h ARG 773 CO -0.03 -0.14 0.19 1.88 -1.51 0.00 0.00 179.97 180.37 1h3n h TYR 774 N -0.21 0.72 -0.42 2.20 -1.99 -0.78 -2.59 116.97 113.90 1h3n h TYR 774 Ca 0.06 -0.04 -0.01 0.00 2.00 0.00 0.00 58.73 60.74 1h3n h TYR 774 Cb 0.29 -0.22 -0.02 0.00 2.00 0.00 0.00 36.73 38.77 1h3n h TYR 774 CO -0.20 0.57 0.23 -0.92 -0.00 0.00 0.00 178.16 177.83 1h3n h TYR 775 N 0.72 0.58 -0.20 4.88 5.03 -0.19 0.00 116.97 127.79 1h3n h TYR 775 Ca 0.17 -0.02 -0.07 0.00 2.58 0.00 0.00 58.73 61.40 1h3n h TYR 775 Cb 0.16 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.24 1h3n h TYR 775 CO 0.01 0.45 -0.17 -0.07 -1.32 0.00 0.00 178.16 177.06 1h3n h LEU 776 N 0.54 0.33 -0.21 2.82 3.38 -1.04 0.61 115.31 121.74 1h3n h LEU 776 Ca 0.15 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1h3n h LEU 776 Cb 0.06 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1h3n h LEU 776 CO -0.02 0.52 -0.14 1.56 0.09 0.00 0.00 178.44 180.45 1h3n h GLN 777 N 0.32 0.47 0.00 1.13 4.20 -1.06 -1.43 115.11 118.73 1h3n h GLN 777 Ca 0.06 -0.22 -0.07 0.00 0.06 0.00 0.00 58.65 58.48 1h3n h GLN 777 Cb 0.49 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1h3n h GLN 777 CO 0.03 0.78 -0.32 0.52 -0.67 0.00 0.00 178.83 179.17 1h3n h MET 778 N 0.17 0.00 0.00 1.46 2.86 -0.67 -2.90 114.93 115.85 1h3n h MET 778 Ca 0.04 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.50 1h3n h MET 778 Cb 0.66 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 1h3n h MET 778 CO 0.04 0.32 -0.87 1.25 1.06 0.00 0.00 176.91 178.71 1h3n h LEU 779 N 0.00 0.05 -0.86 1.22 5.85 -0.74 -3.37 115.31 117.45 1h3n h LEU 779 Ca -0.00 -0.04 0.22 0.00 0.84 0.00 0.00 57.88 58.90 1h3n h LEU 779 Cb 0.64 -0.02 -0.14 0.00 0.37 0.00 0.00 40.66 41.51 1h3n h LEU 779 CO 0.04 0.89 0.16 0.15 -0.34 0.00 0.00 178.44 179.34 1h3n h PHE 780 N 0.02 0.21 0.00 1.25 3.57 -1.04 0.03 116.94 120.97 1h3n h PHE 780 Ca -0.02 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 1h3n h PHE 780 Cb 1.53 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.31 1h3n h PHE 780 CO 0.01 -0.25 -0.19 -1.35 -2.23 0.00 0.00 178.31 174.30 1h3n h PRO 781 N 0.16 0.00 0.00 6.41 0.11 -1.76 -2.71 132.00 134.21 1h3n h PRO 781 Ca 0.52 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.47 1h3n h PRO 781 Cb 1.04 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1h3n h PRO 781 CO -0.69 0.19 -1.08 1.19 -0.21 0.00 0.00 178.00 177.40 1h3n n PHE 782 N -3.93 0.91 -3.52 0.65 3.72 -0.13 -4.32 117.46 110.83 1h3n n PHE 782 Ca -0.02 0.40 -0.27 0.00 -0.05 0.00 0.00 57.45 57.51 1h3n n PHE 782 Cb 0.28 -0.98 -0.09 0.00 -0.94 0.00 0.00 39.48 37.75 1h3n n PHE 782 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1h3n n ALA 783 N -3.56 3.32 -0.26 4.37 0.00 -0.45 -4.64 120.51 119.29 1h3n n ALA 783 Ca -0.25 -4.10 0.00 0.00 0.00 0.00 0.00 53.44 49.09 1h3n n ALA 783 Cb 0.55 -0.89 0.22 0.00 0.00 0.00 0.00 19.45 19.33 1h3n n ALA 783 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1h3n h PRO 784 N 4.80 1.05 0.04 0.00 0.13 -1.66 -2.45 132.00 133.93 1h3n h PRO 784 Ca 0.17 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1h3n h PRO 784 Cb 0.78 -0.24 0.00 0.00 0.13 0.00 0.00 31.00 31.67 1h3n h PRO 784 CO 0.64 0.70 -0.02 0.45 -0.23 0.00 0.00 178.00 179.53 1h3n h HIS 785 N 1.09 -0.06 -0.56 1.56 3.86 -1.94 -0.17 115.15 118.93 1h3n h HIS 785 Ca 0.30 -0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.46 1h3n h HIS 785 Cb -0.10 0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 1h3n h HIS 785 CO -0.00 0.18 0.14 1.25 0.86 0.00 0.00 177.93 180.36 1h3n h LEU 786 N -0.29 0.84 -0.48 2.43 5.85 -1.96 -0.93 115.31 120.77 1h3n h LEU 786 Ca -0.01 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.49 1h3n h LEU 786 Cb 0.26 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1h3n h LEU 786 CO 0.01 0.85 0.30 0.00 -0.34 0.00 0.00 178.44 179.26 1h3n h ALA 787 N 1.02 0.61 -0.64 1.25 0.00 -1.36 -1.01 119.26 119.13 1h3n h ALA 787 Ca 0.18 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1h3n h ALA 787 Cb 0.33 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1h3n h ALA 787 CO 0.00 0.08 0.11 1.49 0.00 0.00 0.00 179.25 180.93 1h3n h GLU 788 N 0.65 1.06 0.30 0.00 4.57 -0.87 -0.69 114.58 119.59 1h3n h GLU 788 Ca 0.17 -0.28 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 1h3n h GLU 788 Cb -0.04 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.43 1h3n h GLU 788 CO -0.04 0.98 -0.14 1.49 -1.18 0.00 0.00 179.01 180.12 1h3n h GLU 789 N 0.98 -0.38 -0.42 1.92 4.57 -0.73 -2.39 114.58 118.13 1h3n h GLU 789 Ca 0.20 0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.31 1h3n h GLU 789 Cb 0.43 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 1h3n h GLU 789 CO 0.01 -0.26 -0.11 -0.07 -1.18 0.00 0.00 179.01 177.40 1h3n h LEU 790 N -0.40 0.73 -0.84 1.64 3.38 -1.16 -2.87 115.31 115.79 1h3n h LEU 790 Ca -0.04 -0.22 0.08 0.00 0.09 0.00 0.00 57.88 57.79 1h3n h LEU 790 Cb 0.31 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.79 1h3n h LEU 790 CO 0.07 0.87 0.50 -0.25 0.09 0.00 0.00 178.44 179.72 1h3n h TRP 791 N 0.67 0.92 0.00 1.13 2.91 -0.97 -1.19 115.95 119.42 1h3n h TRP 791 Ca 0.11 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.16 1h3n h TRP 791 Cb 0.58 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 28.94 1h3n h TRP 791 CO 0.03 0.42 0.00 0.72 -1.03 0.00 0.00 178.44 178.58 1h3n n HIS 792 N -4.69 0.00 0.22 2.65 8.25 -0.91 -0.96 115.22 119.78 1h3n n HIS 792 Ca 0.13 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.70 1h3n n HIS 792 Cb 0.23 -0.35 0.36 0.00 1.12 0.00 0.00 29.99 31.36 1h3n n HIS 792 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1h3n h TRP 793 N 0.00 0.00 0.00 4.41 4.06 -1.26 -3.38 115.95 119.78 1h3n h TRP 793 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1h3n h TRP 793 Cb 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.35 1h3n h TRP 793 CO 0.00 0.16 -0.57 1.19 -3.56 0.00 0.00 178.44 175.65 1h3n n PHE 794 N -3.21 0.00 -4.38 0.49 3.72 -0.94 -5.00 117.46 108.13 1h3n n PHE 794 Ca 0.02 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.14 1h3n n PHE 794 Cb 0.48 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.89 1h3n n PHE 794 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 1h3n s TRP 795 N -1.41 2.23 -0.04 1.38 0.51 -0.14 -5.09 118.94 116.37 1h3n s TRP 795 Ca 0.00 -0.38 -0.20 0.00 -2.12 0.00 0.00 56.10 53.40 1h3n s TRP 795 Cb 0.00 -1.18 -0.14 0.00 -0.81 0.00 0.00 33.47 31.34 1h3n s TRP 795 CO 0.00 0.36 0.85 -1.00 -0.51 0.00 0.00 176.95 176.65 1h3n h PRO 796 N 3.74 -0.33 0.00 4.98 0.13 -1.89 -3.37 132.00 135.25 1h3n h PRO 796 Ca -0.49 0.02 -0.42 0.00 -0.87 0.00 0.00 66.00 64.24 1h3n h PRO 796 Cb 1.18 0.08 0.18 0.00 0.13 0.00 0.00 31.00 32.57 1h3n h PRO 796 CO 0.41 0.01 0.32 -0.25 -0.23 0.00 0.00 178.00 178.26 1h3n n ASP 797 N -5.02 -0.64 -4.88 1.44 8.00 -1.26 -5.00 116.55 109.19 1h3n n ASP 797 Ca -0.08 -1.37 -0.29 0.00 0.71 0.00 0.00 54.79 53.76 1h3n n ASP 797 Cb 0.25 -1.01 -0.01 0.00 -0.02 0.00 0.00 41.12 40.33 1h3n n ASP 797 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1h3n s SER 798 N -5.38 6.36 0.54 -2.24 0.15 -1.26 -4.84 113.70 107.03 1h3n s SER 798 Ca 0.74 1.16 0.27 0.00 0.70 0.00 0.00 55.95 58.81 1h3n s SER 798 Cb -0.04 -2.35 1.56 0.00 -1.71 0.00 0.00 66.02 63.48 1h3n s SER 798 CO 0.53 -0.60 2.14 -0.07 1.20 0.00 0.00 173.24 176.44 1h3n h LEU 799 N 0.43 0.00 -1.97 3.45 3.38 -1.95 -0.82 115.31 117.83 1h3n h LEU 799 Ca -0.46 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 1h3n h LEU 799 Cb 1.19 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 1h3n h LEU 799 CO 0.62 0.07 -0.02 -0.26 0.09 0.00 0.00 178.44 178.95 1h3n h PHE 800 N 0.00 0.00 -0.01 1.13 -1.00 -1.94 -2.52 116.94 112.61 1h3n h PHE 800 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1h3n h PHE 800 Cb 0.19 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.75 1h3n h PHE 800 CO 0.00 0.02 -0.76 0.39 -1.61 0.00 0.00 178.31 176.34 1h3n n GLU 801 N -3.14 0.47 0.19 1.51 1.02 -0.33 -4.28 120.64 116.08 1h3n n GLU 801 Ca -0.01 -0.38 0.12 0.00 -0.02 0.00 0.00 57.16 56.87 1h3n n GLU 801 Cb 0.23 -1.49 0.19 0.00 -0.02 0.00 0.00 31.44 30.35 1h3n n GLU 801 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1h3n h ALA 802 N 3.34 0.96 0.00 0.62 0.00 -1.31 -3.49 119.26 119.38 1h3n h ALA 802 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h3n h ALA 802 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1h3n h ALA 802 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1h3n n GLY 803 N 1.14 -2.11 3.53 0.00 0.00 -1.25 -4.86 105.19 101.64 1h3n n GLY 803 Ca 0.04 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.26 1h3n n GLY 803 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1h3n s TRP 804 N -0.07 2.98 0.26 1.61 -0.11 -0.80 -4.84 118.94 117.96 1h3n s TRP 804 Ca 0.00 -0.18 -0.29 0.00 1.22 0.00 0.00 56.10 56.85 1h3n s TRP 804 Cb 0.00 -1.84 -0.14 0.00 -1.50 0.00 0.00 33.47 29.99 1h3n s TRP 804 CO 0.00 0.12 1.09 -2.30 -4.62 0.00 0.00 176.95 171.24 1h3n n PRO 805 N 2.94 1.38 -3.03 5.86 -0.02 -1.26 -4.94 135.00 135.92 1h3n n PRO 805 Ca -0.18 0.49 -0.40 0.00 -2.02 0.00 0.00 63.50 61.39 1h3n n PRO 805 Cb 0.53 -1.92 -0.05 0.00 -0.02 0.00 0.00 33.50 32.04 1h3n n PRO 805 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1h3n s GLU 806 N -1.16 4.37 0.32 -0.52 2.12 -1.26 -5.04 118.70 117.53 1h3n s GLU 806 Ca 0.63 0.85 -0.28 0.00 0.36 0.00 0.00 54.97 56.53 1h3n s GLU 806 Cb -0.73 -3.50 -0.09 0.00 0.26 0.00 0.00 34.13 30.07 1h3n s GLU 806 CO 0.57 -0.07 1.09 -1.17 -0.54 0.00 0.00 175.26 175.15 1h3n s LEU 807 N 1.26 4.41 -0.52 2.70 2.96 -1.26 -5.01 118.68 123.23 1h3n s LEU 807 Ca 0.36 2.22 -0.07 0.00 -0.22 0.00 0.00 54.13 56.41 1h3n s LEU 807 Cb -0.17 -3.81 0.13 0.00 0.50 0.00 0.00 46.19 42.84 1h3n s LEU 807 CO 0.15 -0.28 0.37 -0.62 -1.32 0.00 0.00 176.35 174.66 1h3n s ASP 808 N -1.08 5.64 0.23 3.68 -1.08 -1.26 -4.96 116.67 117.84 1h3n s ASP 808 Ca 0.49 -2.16 -0.06 0.00 -0.52 0.00 0.00 52.55 50.30 1h3n s ASP 808 Cb -0.29 -1.97 0.38 0.00 -1.46 0.00 0.00 42.92 39.58 1h3n s ASP 808 CO 0.37 -0.60 1.77 -0.33 0.52 0.00 0.00 175.17 176.90 1h3n h GLU 809 N 8.09 0.56 -0.07 4.34 4.39 -1.98 -1.56 114.58 128.34 1h3n h GLU 809 Ca -0.14 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.55 1h3n h GLU 809 Cb 1.05 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1h3n h GLU 809 CO 0.80 0.37 0.05 0.87 -1.16 0.00 0.00 179.01 179.94 1h3n h LYS 810 N 0.58 0.00 0.00 2.33 1.79 -1.98 -0.01 116.57 119.28 1h3n h LYS 810 Ca 0.37 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 1h3n h LYS 810 Cb 0.45 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1h3n h LYS 810 CO -0.30 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.07 1h3n h ALA 811 N 1.97 1.00 0.00 3.86 0.00 -1.68 -2.67 119.26 121.74 1h3n h ALA 811 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1h3n h ALA 811 Cb 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1h3n h ALA 811 CO -0.00 0.00 -0.67 -0.07 0.00 0.00 0.00 179.25 178.51 1h3n h LEU 812 N 0.00 0.00 -9.51 0.00 3.38 -1.04 -3.43 115.31 104.72 1h3n h LEU 812 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1h3n h LEU 812 Cb 0.36 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.15 1h3n h LEU 812 CO 0.00 0.12 1.03 -1.61 0.09 0.00 0.00 178.44 178.07 1h3n s GLU 813 N -3.22 4.17 0.00 1.13 2.02 -1.01 -5.10 118.70 116.69 1h3n s GLU 813 Ca 0.02 2.46 0.00 0.00 0.02 0.00 0.00 54.97 57.47 1h3n s GLU 813 Cb 0.08 -3.50 0.00 0.00 0.10 0.00 0.00 34.13 30.80 1h3n s GLU 813 CO 0.75 -0.76 0.00 1.17 0.02 0.00 0.00 175.26 176.44